6-methyloctan-1-ol

C9H20O — CID 520908

IUPAC6-methyloctan-1-ol
SMILESCCC(C)CCCCCO
InChIInChI=1S/C9H20O/c1-3-9(2)7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyWWRGKAMABZHMCN-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.59
Rot. Bonds6

About 6-methyloctan-1-ol

6-methyloctan-1-ol (PubChem CID 520908) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 6-methyloctan-1-ol.

Molecular Properties

Compound Name6-methyloctan-1-ol
PubChem CID520908
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name6-methyloctan-1-ol
SMILESCCC(C)CCCCCO
InChIInChI=1S/C9H20O/c1-3-9(2)7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyWWRGKAMABZHMCN-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyloctan-1-ol?
The IUPAC name of 6-methyloctan-1-ol (CID 520908) is 6-methyloctan-1-ol.
What is the SMILES notation for 6-methyloctan-1-ol?
The canonical SMILES for 6-methyloctan-1-ol is CCC(C)CCCCCO.
What is the InChIKey of 6-methyloctan-1-ol?
The InChIKey is WWRGKAMABZHMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-3-9(2)7-5-4-6-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 6-methyloctan-1-ol?
6-methyloctan-1-ol has a molecular weight of 144.26 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyloctan-1-ol is sourced from PubChem (CID 520908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).