4-Methyl-1-pentyne

CAT: 0127-OR1044144-01Size: 1 mLDry Ice: NoHazardous: No

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CAT#:0127-OR1044144-01Size:1 mL

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CAS Number

7154-75-8

Synonyms

4-methylpent-1-yne

MDL Number

MFCD00039857

Purity

98%

Smiles

C#CCC(C)C

Chemical Information

4-Methyl-1-pentyne

CAS Number	7154-75-8
PubChem CID	138948
IUPAC Name	4-methylpent-1-yne
Molecular Formula	C6H10
Molecular Weight	82.14
XLogP	2.1
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	61

SMILES

CC(C)CC#C

InChI

InChI=1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3

InChIKey

OXRWICUICBZVAE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7154-75-8

CID: 138948

Formula: C6H10

MW: 82.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	82.14
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	82.078250319
Monoisotopic Mass	82.078250319
Topological Polar Surface Area	0 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	61.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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