6-methoxyhexan-1-ol

C7H16O2 — CID 12651699

IUPAC6-methoxyhexan-1-ol
SMILESCOCCCCCCO
InChIInChI=1S/C7H16O2/c1-9-7-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyCROLBRYGLOVQCD-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.19
Rot. Bonds6

About 6-methoxyhexan-1-ol

6-methoxyhexan-1-ol (PubChem CID 12651699) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 6-methoxyhexan-1-ol.

Molecular Properties

Compound Name6-methoxyhexan-1-ol
PubChem CID12651699
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name6-methoxyhexan-1-ol
SMILESCOCCCCCCO
InChIInChI=1S/C7H16O2/c1-9-7-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyCROLBRYGLOVQCD-UHFFFAOYSA-N
XLogP1.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Hexanol
CID 8103
Heptanol
CID 8129
1,6-Hexanediol
CID 12374
1,7-Heptanediol
CID 12381
(~2~H_13_)Hexan-1-ol
CID 16212921
(~13~C_6_)Hexan-1-ol
CID 71308863
4-(Hexyloxy)-1-butanol
CID 20665
Heptanol-1-14C
CID 12225322
3-(Hexyloxy)propan-1-ol
CID 15470557
3-Methoxy-hexane-1,6-diol
CID 560608
1-Deuterohexanol
CID 12225317
n-Heptyl-1-d1 Alcohol
CID 12225328

Frequently Asked Questions

What is the IUPAC name of 6-methoxyhexan-1-ol?
The IUPAC name of 6-methoxyhexan-1-ol (CID 12651699) is 6-methoxyhexan-1-ol.
What is the SMILES notation for 6-methoxyhexan-1-ol?
The canonical SMILES for 6-methoxyhexan-1-ol is COCCCCCCO.
What is the InChIKey of 6-methoxyhexan-1-ol?
The InChIKey is CROLBRYGLOVQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-9-7-5-3-2-4-6-8/h8H,2-7H2,1H3.
What are the key properties of 6-methoxyhexan-1-ol?
6-methoxyhexan-1-ol has a molecular weight of 132.20 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyhexan-1-ol is sourced from PubChem (CID 12651699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).