(3Z)-3-pentylidene-4,5-dihydro-1H-2-benzofuran

C13H18O — CID 6428798

IUPAC(3Z)-3-pentylidene-4,5-dihydro-1H-2-benzofuran
SMILESCCCC/C=C1\OCC2=C1CCC=C2
InChIInChI=1S/C13H18O/c1-2-3-4-9-13-12-8-6-5-7-11(12)10-14-13/h5,7,9H,2-4,6,8,10H2,1H3/b13-9-
InChIKeyZLAFQLXVGWHNRT-LCYFTJDESA-N
MW190.29 g/mol
LogP3.74
Rot. Bonds3

About (3Z)-3-pentylidene-4,5-dihydro-1H-2-benzofuran

(3Z)-3-pentylidene-4,5-dihydro-1H-2-benzofuran (PubChem CID 6428798) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (3Z)-3-pentylidene-4,5-dihydro-1H-2-benzofuran.

Molecular Properties

Compound Name(3Z)-3-pentylidene-4,5-dihydro-1H-2-benzofuran
PubChem CID6428798
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(3Z)-3-pentylidene-4,5-dihydro-1H-2-benzofuran
SMILESCCCC/C=C1\OCC2=C1CCC=C2
InChIInChI=1S/C13H18O/c1-2-3-4-9-13-12-8-6-5-7-11(12)10-14-13/h5,7,9H,2-4,6,8,10H2,1H3/b13-9-
InChIKeyZLAFQLXVGWHNRT-LCYFTJDESA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.74
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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Related Compounds

7-Oxabenzonorbornadiene
CID 129736041
1-[(1E)-1-ethoxybuta-1,3-dienyl]cyclohexene
CID 11229119
7-Tetrahydrobenzofuran
CID 17799099
7,7a-Dihydrobenzofuran
CID 19744327
6,7-Tetrahydroisobenzofuran
CID 21849955
Dihydrocyclopenta(C)pyrane
CID 67724778
Cyclopentabenzofuran
CID 87131369
Indenobenzofuran
CID 88598125
Indeno[5,6-b]furan
CID 129845500
Indeno[1,2-b]furan
CID 139207808
(2Z,3E)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxane
CID 134289672
1-fluoro-3-[[(3E,5Z)-octa-1,3,5-trien-4-yl]oxymethyl]cyclohexa-1,3-diene
CID 134389449

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-pentylidene-4,5-dihydro-1H-2-benzofuran?
The IUPAC name of (3Z)-3-pentylidene-4,5-dihydro-1H-2-benzofuran (CID 6428798) is (3Z)-3-pentylidene-4,5-dihydro-1H-2-benzofuran.
What is the SMILES notation for (3Z)-3-pentylidene-4,5-dihydro-1H-2-benzofuran?
The canonical SMILES for (3Z)-3-pentylidene-4,5-dihydro-1H-2-benzofuran is CCCC/C=C1\OCC2=C1CCC=C2.
What is the InChIKey of (3Z)-3-pentylidene-4,5-dihydro-1H-2-benzofuran?
The InChIKey is ZLAFQLXVGWHNRT-LCYFTJDESA-N. The full InChI is InChI=1S/C13H18O/c1-2-3-4-9-13-12-8-6-5-7-11(12)10-14-13/h5,7,9H,2-4,6,8,10H2,1H3/b13-9-.
What are the key properties of (3Z)-3-pentylidene-4,5-dihydro-1H-2-benzofuran?
(3Z)-3-pentylidene-4,5-dihydro-1H-2-benzofuran has a molecular weight of 190.29 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-pentylidene-4,5-dihydro-1H-2-benzofuran is sourced from PubChem (CID 6428798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).