3-pentyloxolan-2-ol

C9H18O2 — CID 13291787

IUPAC3-pentyloxolan-2-ol
SMILESCCCCCC1CCOC1O
InChIInChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-11-9(8)10/h8-10H,2-7H2,1H3
InChIKeyIUVLSTODXDYUFY-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.92
Rot. Bonds4

About 3-pentyloxolan-2-ol

3-pentyloxolan-2-ol (PubChem CID 13291787) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-pentyloxolan-2-ol.

Molecular Properties

Compound Name3-pentyloxolan-2-ol
PubChem CID13291787
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-pentyloxolan-2-ol
SMILESCCCCCC1CCOC1O
InChIInChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-11-9(8)10/h8-10H,2-7H2,1H3
InChIKeyIUVLSTODXDYUFY-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.92
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

3-[(E)-oct-2-enyl]oxolan-2-ol
CID 135071288
2-octadecyloxetane
CID 168986267
ethanol;2-pentadecyloxetane
CID 68938646
3-(chloromethyl)-2-hexyloxolane
CID 79373695
(2R,3S)-2-butyl-4-pentyloxolan-3-ol
CID 10965887
(3R)-4-hexylcyclohexane-1,3-diol
CID 90224141
1-(oxetan-2-yl)-2-(2-undecylcyclopropyl)ethanol
CID 173330404
1-(3-butyloxolan-2-yl)-1,2,2-trifluoroethanol
CID 139601831
(2R)-2-pentyloxirane
CID 11147691
(2R,3R)-3-[(2R)-2-methyl-2-triethylsilylperoxyheptyl]oxolan-2-ol
CID 125485807
(2R,3S)-2-octyl-3-pentyloxane
CID 20849211
(5S,6R)-5-heptyl-6-octyloxan-2-ol
CID 23401616

Frequently Asked Questions

What is the IUPAC name of 3-pentyloxolan-2-ol?
The IUPAC name of 3-pentyloxolan-2-ol (CID 13291787) is 3-pentyloxolan-2-ol.
What is the SMILES notation for 3-pentyloxolan-2-ol?
The canonical SMILES for 3-pentyloxolan-2-ol is CCCCCC1CCOC1O.
What is the InChIKey of 3-pentyloxolan-2-ol?
The InChIKey is IUVLSTODXDYUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-11-9(8)10/h8-10H,2-7H2,1H3.
What are the key properties of 3-pentyloxolan-2-ol?
3-pentyloxolan-2-ol has a molecular weight of 158.24 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyloxolan-2-ol is sourced from PubChem (CID 13291787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).