2-octoxypropan-1-ol

C11H24O2 — CID 10058298

IUPAC2-octoxypropan-1-ol
SMILESCCCCCCCCOC(C)CO
InChIInChI=1S/C11H24O2/c1-3-4-5-6-7-8-9-13-11(2)10-12/h11-12H,3-10H2,1-2H3
InChIKeyFWFAVISHBVXODB-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.74
Rot. Bonds9

About 2-octoxypropan-1-ol

2-octoxypropan-1-ol (PubChem CID 10058298) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-octoxypropan-1-ol.

Molecular Properties

Compound Name2-octoxypropan-1-ol
PubChem CID10058298
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2-octoxypropan-1-ol
SMILESCCCCCCCCOC(C)CO
InChIInChI=1S/C11H24O2/c1-3-4-5-6-7-8-9-13-11(2)10-12/h11-12H,3-10H2,1-2H3
InChIKeyFWFAVISHBVXODB-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.74
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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Frequently Asked Questions

What is the IUPAC name of 2-octoxypropan-1-ol?
The IUPAC name of 2-octoxypropan-1-ol (CID 10058298) is 2-octoxypropan-1-ol.
What is the SMILES notation for 2-octoxypropan-1-ol?
The canonical SMILES for 2-octoxypropan-1-ol is CCCCCCCCOC(C)CO.
What is the InChIKey of 2-octoxypropan-1-ol?
The InChIKey is FWFAVISHBVXODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-3-4-5-6-7-8-9-13-11(2)10-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-octoxypropan-1-ol?
2-octoxypropan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxypropan-1-ol is sourced from PubChem (CID 10058298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).