3-propoxyhexan-1-ol

C9H20O2 — CID 139839964

IUPAC3-propoxyhexan-1-ol
SMILESCCCOC(CCC)CCO
InChIInChI=1S/C9H20O2/c1-3-5-9(6-7-10)11-8-4-2/h9-10H,3-8H2,1-2H3
InChIKeyWHEAGAIIIKMADC-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.96
Rot. Bonds7

About 3-propoxyhexan-1-ol

3-propoxyhexan-1-ol (PubChem CID 139839964) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-propoxyhexan-1-ol.

Molecular Properties

Compound Name3-propoxyhexan-1-ol
PubChem CID139839964
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name3-propoxyhexan-1-ol
SMILESCCCOC(CCC)CCO
InChIInChI=1S/C9H20O2/c1-3-5-9(6-7-10)11-8-4-2/h9-10H,3-8H2,1-2H3
InChIKeyWHEAGAIIIKMADC-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Octane-1,3-diol
CID 90927
3-Hexyloxypropylene glycol
CID 11229094
1,3-Nonanediol
CID 90928
3,3'-Dihydroxydibutyl ether
CID 92141
1,3-Decanediol
CID 201483
1,3-Hexanediol
CID 210704
2,4-Heptanediol
CID 140758
1-O-Pentylglycerol
CID 90819
3-(Heptyloxy)propane-1,2-diol
CID 10313465
2,6-Dimethyloxan-4-ol
CID 15182357
1-Butanol, 3,3'-oxybis-
CID 171333
1-Butanol, 3-(3-hydroxybutoxy)-
CID 171694

Frequently Asked Questions

What is the IUPAC name of 3-propoxyhexan-1-ol?
The IUPAC name of 3-propoxyhexan-1-ol (CID 139839964) is 3-propoxyhexan-1-ol.
What is the SMILES notation for 3-propoxyhexan-1-ol?
The canonical SMILES for 3-propoxyhexan-1-ol is CCCOC(CCC)CCO.
What is the InChIKey of 3-propoxyhexan-1-ol?
The InChIKey is WHEAGAIIIKMADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-3-5-9(6-7-10)11-8-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-propoxyhexan-1-ol?
3-propoxyhexan-1-ol has a molecular weight of 160.26 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxyhexan-1-ol is sourced from PubChem (CID 139839964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).