5-pentyloxolan-2-ol

C9H18O2 — CID 10702081

IUPAC5-pentyloxolan-2-ol
SMILESCCCCCC1CCC(O)O1
InChIInChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8-10H,2-7H2,1H3
InChIKeyFAPYUVKMJWJMEH-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.06
Rot. Bonds4

About 5-pentyloxolan-2-ol

5-pentyloxolan-2-ol (PubChem CID 10702081) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 5-pentyloxolan-2-ol.

Molecular Properties

Compound Name5-pentyloxolan-2-ol
PubChem CID10702081
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name5-pentyloxolan-2-ol
SMILESCCCCCC1CCC(O)O1
InChIInChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8-10H,2-7H2,1H3
InChIKeyFAPYUVKMJWJMEH-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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 5-pentyloxolan-2-ol?
The IUPAC name of 5-pentyloxolan-2-ol (CID 10702081) is 5-pentyloxolan-2-ol.
What is the SMILES notation for 5-pentyloxolan-2-ol?
The canonical SMILES for 5-pentyloxolan-2-ol is CCCCCC1CCC(O)O1.
What is the InChIKey of 5-pentyloxolan-2-ol?
The InChIKey is FAPYUVKMJWJMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8-10H,2-7H2,1H3.
What are the key properties of 5-pentyloxolan-2-ol?
5-pentyloxolan-2-ol has a molecular weight of 158.24 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyloxolan-2-ol is sourced from PubChem (CID 10702081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).