5-octyl-2,3-dihydrofuran

C12H22O — CID 11030457

IUPAC5-octyl-2,3-dihydrofuran
SMILESCCCCCCCCC1=CCCO1
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h10H,2-9,11H2,1H3
InChIKeyVAFNHPBSVYSOFF-UHFFFAOYSA-N
MW182.31 g/mol
LogP4.04
Rot. Bonds7

About 5-octyl-2,3-dihydrofuran

5-octyl-2,3-dihydrofuran (PubChem CID 11030457) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 5-octyl-2,3-dihydrofuran.

Molecular Properties

Compound Name5-octyl-2,3-dihydrofuran
PubChem CID11030457
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name5-octyl-2,3-dihydrofuran
SMILESCCCCCCCCC1=CCCO1
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h10H,2-9,11H2,1H3
InChIKeyVAFNHPBSVYSOFF-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-octyl-2,3-dihydrofuran?
The IUPAC name of 5-octyl-2,3-dihydrofuran (CID 11030457) is 5-octyl-2,3-dihydrofuran.
What is the SMILES notation for 5-octyl-2,3-dihydrofuran?
The canonical SMILES for 5-octyl-2,3-dihydrofuran is CCCCCCCCC1=CCCO1.
What is the InChIKey of 5-octyl-2,3-dihydrofuran?
The InChIKey is VAFNHPBSVYSOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-2-3-4-5-6-7-9-12-10-8-11-13-12/h10H,2-9,11H2,1H3.
What are the key properties of 5-octyl-2,3-dihydrofuran?
5-octyl-2,3-dihydrofuran has a molecular weight of 182.31 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octyl-2,3-dihydrofuran is sourced from PubChem (CID 11030457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).