3-Methyl-1-heptanol

CAT: 0127-OR1044531-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1044531-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1070-32-2

MDL Number

MFCD00046009

Purity

95%

Smiles

CCCCC(C)CCO

Chemical Information

3-Methyl-1-heptanol

CAS Number	1070-32-2
PubChem CID	517883
IUPAC Name	3-methylheptan-1-ol
Molecular Formula	C8H18O
Molecular Weight	130.23
XLogP	2.9
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	9
Formal Charge	0
Complexity	52

SMILES

CCCCC(C)CCO

InChI

InChI=1S/C8H18O/c1-3-4-5-8(2)6-7-9/h8-9H,3-7H2,1-2H3

InChIKey

MUPPEBVXFKNMCI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1070-32-2

CID: 517883

Formula: C8H18O

MW: 130.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.23
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	130.135765193
Monoisotopic Mass	130.135765193
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	52.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes