1,3-dimethoxyhexan-2-ol

C8H18O3 — CID 116711716

IUPAC1,3-dimethoxyhexan-2-ol
SMILESCCCC(OC)C(O)COC
InChIInChI=1S/C8H18O3/c1-4-5-8(11-3)7(9)6-10-2/h7-9H,4-6H2,1-3H3
InChIKeyIEMJFZLBUBMOOP-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.81
Rot. Bonds6

About 1,3-dimethoxyhexan-2-ol

1,3-dimethoxyhexan-2-ol (PubChem CID 116711716) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 1,3-dimethoxyhexan-2-ol.

Molecular Properties

Compound Name1,3-dimethoxyhexan-2-ol
PubChem CID116711716
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name1,3-dimethoxyhexan-2-ol
SMILESCCCC(OC)C(O)COC
InChIInChI=1S/C8H18O3/c1-4-5-8(11-3)7(9)6-10-2/h7-9H,4-6H2,1-3H3
InChIKeyIEMJFZLBUBMOOP-UHFFFAOYSA-N
XLogP0.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 1,3-dimethoxyhexan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxynonan-5-ol
CID 116711594
4-methoxy-7-methyldecan-5-ol
CID 116711734
5-methoxy-2-methyloct-1-en-4-ol
CID 116711758
3-methoxyheptan-4-ol
CID 54045994
6-methoxy-2-methylnon-1-en-5-ol
CID 114474042
4-methoxy-2-methylheptan-3-ol
CID 116711593
4-hydroxy-3,5-dimethoxypentanal
CID 18716519
(4R)-4-hydroxy-3,5-dimethoxypentanal
CID 88555944
3-(methoxymethyl)heptan-4-ol
CID 83051551
3-methoxy-2-methylhexane
CID 23384964
(2S,3R)-3-chloro-1-methoxydecan-2-ol
CID 13436794
(2R,3S)-1,3,5-trimethoxyhept-6-yn-2-ol
CID 163702380

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxyhexan-2-ol?
The IUPAC name of 1,3-dimethoxyhexan-2-ol (CID 116711716) is 1,3-dimethoxyhexan-2-ol.
What is the SMILES notation for 1,3-dimethoxyhexan-2-ol?
The canonical SMILES for 1,3-dimethoxyhexan-2-ol is CCCC(OC)C(O)COC.
What is the InChIKey of 1,3-dimethoxyhexan-2-ol?
The InChIKey is IEMJFZLBUBMOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-4-5-8(11-3)7(9)6-10-2/h7-9H,4-6H2,1-3H3.
What are the key properties of 1,3-dimethoxyhexan-2-ol?
1,3-dimethoxyhexan-2-ol has a molecular weight of 162.23 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxyhexan-2-ol is sourced from PubChem (CID 116711716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).