3-octoxypropan-1-ol

C11H24O2 — CID 10241583

IUPAC3-octoxypropan-1-ol
SMILESCCCCCCCCOCCCO
InChIInChI=1S/C11H24O2/c1-2-3-4-5-6-7-10-13-11-8-9-12/h12H,2-11H2,1H3
InChIKeyHACCYFNGBDGFND-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.75
Rot. Bonds10

About 3-octoxypropan-1-ol

3-octoxypropan-1-ol (PubChem CID 10241583) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-octoxypropan-1-ol.

Molecular Properties

Compound Name3-octoxypropan-1-ol
PubChem CID10241583
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name3-octoxypropan-1-ol
SMILESCCCCCCCCOCCCO
InChIInChI=1S/C11H24O2/c1-2-3-4-5-6-7-10-13-11-8-9-12/h12H,2-11H2,1H3
InChIKeyHACCYFNGBDGFND-UHFFFAOYSA-N
XLogP2.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.75
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-Octanol
CID 957
1-Dodecanol
CID 8193
1-Tetradecanol
CID 8209
1-Decanol
CID 8174
1-Tridecanol
CID 8207
1-Undecanol
CID 8184
1-Nonanol
CID 8914
2-(Dodecyloxy)ethanol
CID 24750
1,12-Dodecanediol
CID 79758
1,8-Octanediol
CID 69420
Octane-1,3-diol
CID 90927
1,9-Nonanediol
CID 19835

Frequently Asked Questions

What is the IUPAC name of 3-octoxypropan-1-ol?
The IUPAC name of 3-octoxypropan-1-ol (CID 10241583) is 3-octoxypropan-1-ol.
What is the SMILES notation for 3-octoxypropan-1-ol?
The canonical SMILES for 3-octoxypropan-1-ol is CCCCCCCCOCCCO.
What is the InChIKey of 3-octoxypropan-1-ol?
The InChIKey is HACCYFNGBDGFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-2-3-4-5-6-7-10-13-11-8-9-12/h12H,2-11H2,1H3.
What are the key properties of 3-octoxypropan-1-ol?
3-octoxypropan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octoxypropan-1-ol is sourced from PubChem (CID 10241583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).