2,6-dimethoxyhexan-1-ol

C8H18O3 — CID 152602775

IUPAC2,6-dimethoxyhexan-1-ol
SMILESCOCCCCC(CO)OC
InChIInChI=1S/C8H18O3/c1-10-6-4-3-5-8(7-9)11-2/h8-9H,3-7H2,1-2H3
InChIKeyYXWQBJHPGQDWBF-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.81
Rot. Bonds7

About 2,6-dimethoxyhexan-1-ol

2,6-dimethoxyhexan-1-ol (PubChem CID 152602775) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2,6-dimethoxyhexan-1-ol.

Molecular Properties

Compound Name2,6-dimethoxyhexan-1-ol
PubChem CID152602775
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name2,6-dimethoxyhexan-1-ol
SMILESCOCCCCC(CO)OC
InChIInChI=1S/C8H18O3/c1-10-6-4-3-5-8(7-9)11-2/h8-9H,3-7H2,1-2H3
InChIKeyYXWQBJHPGQDWBF-UHFFFAOYSA-N
XLogP0.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyoctadecane-1,18-diol
CID 139894208
(1-hydroxy-6-methoxyhexan-2-yl) acetate
CID 58841527
2-methoxyhexan-1-ol
CID 12754599
bis(9-hydroxy-8-methoxynonyl) nonanedioate
CID 175114693
acetic acid;2-methoxyhexan-1-ol
CID 71318556
1,2,5,6-tetramethoxyhexane
CID 18679814
(2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid
CID 58488948
2-tetradecoxydecan-1-ol
CID 155667265
2-dodecoxytridecan-1-ol
CID 23171962
methane;7-methoxyheptan-2-ol
CID 158258066
2-[2-[2-[2-[2-[2-(9,10,16-trimethoxyhexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 71333348
7,8-dimethoxyoct-1-ene
CID 3022579

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxyhexan-1-ol?
The IUPAC name of 2,6-dimethoxyhexan-1-ol (CID 152602775) is 2,6-dimethoxyhexan-1-ol.
What is the SMILES notation for 2,6-dimethoxyhexan-1-ol?
The canonical SMILES for 2,6-dimethoxyhexan-1-ol is COCCCCC(CO)OC.
What is the InChIKey of 2,6-dimethoxyhexan-1-ol?
The InChIKey is YXWQBJHPGQDWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-10-6-4-3-5-8(7-9)11-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,6-dimethoxyhexan-1-ol?
2,6-dimethoxyhexan-1-ol has a molecular weight of 162.23 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxyhexan-1-ol is sourced from PubChem (CID 152602775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).