6-methylheptan-1-ol

C8H18O — CID 15450

IUPAC6-methylheptan-1-ol
SMILESCC(C)CCCCCO
InChIInChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyBWDBEAQIHAEVLV-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.20
Rot. Bonds5

About 6-methylheptan-1-ol

6-methylheptan-1-ol (PubChem CID 15450) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 6-methylheptan-1-ol.

Molecular Properties

Compound Name6-methylheptan-1-ol
PubChem CID15450
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name6-methylheptan-1-ol
SMILESCC(C)CCCCCO
InChIInChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyBWDBEAQIHAEVLV-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

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-methylheptan-1-ol?
The IUPAC name of 6-methylheptan-1-ol (CID 15450) is 6-methylheptan-1-ol.
What is the SMILES notation for 6-methylheptan-1-ol?
The canonical SMILES for 6-methylheptan-1-ol is CC(C)CCCCCO.
What is the InChIKey of 6-methylheptan-1-ol?
The InChIKey is BWDBEAQIHAEVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 6-methylheptan-1-ol?
6-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 6-methylheptan-1-ol is sourced from PubChem (CID 15450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).