Products for Research Use Only
RegisterLogin

Methyl 2-methylpent-4-ynoate

CAT: 0926-GJC50900-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-GJC50900-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1481509-00-5
MDL Number
MFCD22023857
Smiles
CC (CC#C) C (=O) OC
Molecular Formula
C7H10O2
Molecular Weight
126.15 g/mol
Controlled
No

Chemical Information

Methyl 2-methylpent-4-ynoate
CAS Number1481509-00-5
PubChem CID59444496
IUPAC Namemethyl 2-methylpent-4-ynoate
Molecular FormulaC7H10O2
Molecular Weight126.15
XLogP1.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity140
SMILES
CC(CC#C)C(=O)OC
InChI
InChI=1S/C7H10O2/c1-4-5-6(2)7(8)9-3/h1,6H,5H2,2-3H3
InChIKey
OLKZKTPKVOMJGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-methylpent-4-ynoate
CAS: 1481509-00-5
CID: 59444496
Formula: C7H10O2
MW: 126.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.15
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass126.068079557
Monoisotopic Mass126.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity140
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BEA41311-01Methyl 2-acetylpent-4-ynoate
SBA99800-01Methyl 2-ethylpent-4-ynoate
LDA10149-01Methyl 2,2-dimethylpent-4-ynoate
DXC60032-01Methyl 4-aminobut-2-ynoate hydrochloride
DHA38941-01Methyl 2-aminopent-4-ynoate hydrochloride
SBA12227-01Methyl 3- (4-bromophenyl) prop-2-ynoate
HRB04158-01Methyl 3- (4-cyanophenyl) prop-2-ynoate
SBA12244Methyl 3- (4-fluorophenyl) prop-2-ynoate
QNA77256-01Methyl 3- (2,4-difluorophenyl) prop-2-ynoate
FDA07019-01Methyl 2- (dimethylamino) -2-methylpent-4-enoate

Alternative Products

CatalogName
OR89638-01Methyl but-2-ynoate
OR55646-01Methyl pent-4-ynoate
OR1042157-01Methyl 2-aminopent-4-ynoate hydrochloride
OR956016-01Methyl (2R) -2-aminopent-4-ynoate
OR28689-01Methyl non-2-ynoate
OR0649-01Methyl prop-2-ynoate
OR6465-01Methyl (2E) -4-methylpent-2-enoate
TRC-M294963-500MGMethyl But-3-ynoate
OR72176-01Methyl 2,2-dimethylbut-3-ynoate
OR1046569-01Methyl 2- ((tert-butoxycarbonyl) amino) pent-4-ynoate

Popular Products