3-methylheptan-1-ol

C8H18O — CID 517883

IUPAC3-methylheptan-1-ol
SMILESCCCCC(C)CCO
InChIInChI=1S/C8H18O/c1-3-4-5-8(2)6-7-9/h8-9H,3-7H2,1-2H3
InChIKeyMUPPEBVXFKNMCI-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.20
Rot. Bonds5

About 3-methylheptan-1-ol

3-methylheptan-1-ol (PubChem CID 517883) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 3-methylheptan-1-ol.

Molecular Properties

Compound Name3-methylheptan-1-ol
PubChem CID517883
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name3-methylheptan-1-ol
SMILESCCCCC(C)CCO
InChIInChI=1S/C8H18O/c1-3-4-5-8(2)6-7-9/h8-9H,3-7H2,1-2H3
InChIKeyMUPPEBVXFKNMCI-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethylhexanol
CID 7720
3,7-Dimethyl-1-octanol
CID 7792
2-Ethyl-1,3-Hexanediol
CID 7211
3,5,5-Trimethyl-1-hexanol
CID 18938
2-Butyl-1-octanol
CID 19800
Isooctan-1-ol
CID 15450
4-Methylcyclohexanemethanol
CID 118193
2-Octyldodecanol
CID 21414
2-Methyloctanol
CID 102495
Cyclohexanemethanol
CID 7507
2-Methyl-1-hexadecanol
CID 17218
1-Pentanol, 2-propyl-
CID 123543

Frequently Asked Questions

What is the IUPAC name of 3-methylheptan-1-ol?
The IUPAC name of 3-methylheptan-1-ol (CID 517883) is 3-methylheptan-1-ol.
What is the SMILES notation for 3-methylheptan-1-ol?
The canonical SMILES for 3-methylheptan-1-ol is CCCCC(C)CCO.
What is the InChIKey of 3-methylheptan-1-ol?
The InChIKey is MUPPEBVXFKNMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-3-4-5-8(2)6-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-methylheptan-1-ol?
3-methylheptan-1-ol has a molecular weight of 130.23 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylheptan-1-ol is sourced from PubChem (CID 517883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).