(4Z)-4-heptan-3-ylidene-3,3a-dihydro-2-benzofuran-1-one

C15H20O2 — CID 139694618

IUPAC(4Z)-4-heptan-3-ylidene-3,3a-dihydro-2-benzofuran-1-one
SMILESCCCC/C(CC)=C1/C=CC=C2C(=O)OCC21
InChIInChI=1S/C15H20O2/c1-3-5-7-11(4-2)12-8-6-9-13-14(12)10-17-15(13)16/h6,8-9,14H,3-5,7,10H2,1-2H3/b12-11-
InChIKeySPPRSAUQVZOVHP-QXMHVHEDSA-N
MW232.32 g/mol
LogP3.55
Rot. Bonds4

About (4Z)-4-heptan-3-ylidene-3,3a-dihydro-2-benzofuran-1-one

(4Z)-4-heptan-3-ylidene-3,3a-dihydro-2-benzofuran-1-one (PubChem CID 139694618) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (4Z)-4-heptan-3-ylidene-3,3a-dihydro-2-benzofuran-1-one.

Molecular Properties

Compound Name(4Z)-4-heptan-3-ylidene-3,3a-dihydro-2-benzofuran-1-one
PubChem CID139694618
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(4Z)-4-heptan-3-ylidene-3,3a-dihydro-2-benzofuran-1-one
SMILESCCCC/C(CC)=C1/C=CC=C2C(=O)OCC21
InChIInChI=1S/C15H20O2/c1-3-5-7-11(4-2)12-8-6-9-13-14(12)10-17-15(13)16/h6,8-9,14H,3-5,7,10H2,1-2H3/b12-11-
InChIKeySPPRSAUQVZOVHP-QXMHVHEDSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-butylidene-3,3a-dihydro-2-benzofuran-1-one
CID 141056334
3-tridecan-3-ylideneoxiran-2-one
CID 140980227
4,4-dimethyl-3-nonan-5-ylideneoxolan-2-one
CID 12701203
(3Z)-3-undecan-5-ylideneoxolan-2-one
CID 100912398
(3E)-3-(1-aminopropylidene)-4-phenyloxolan-2-one
CID 102266197
dodecan-5-ylidenecyclopropane
CID 134896338
5-heptan-3-ylidenebicyclo[2.2.1]hept-2-ene
CID 57173688
(3Z)-3-butylidene-3a,4-dihydro-2-benzofuran-1-one
CID 91752777
(3E)-3-(1-bromohexylidene)-4-ethenyloxolan-2-one
CID 15074852
3-hexyl-2,3-dihydropyran-6-one
CID 134890393
6-butylcyclohepta-3,5-diene-1,2-dione
CID 74763915
(3R,4R)-3-butyl-4-hydroxy-4,5-dihydro-3H-2-benzofuran-1-one
CID 162933127

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-heptan-3-ylidene-3,3a-dihydro-2-benzofuran-1-one?
The IUPAC name of (4Z)-4-heptan-3-ylidene-3,3a-dihydro-2-benzofuran-1-one (CID 139694618) is (4Z)-4-heptan-3-ylidene-3,3a-dihydro-2-benzofuran-1-one.
What is the SMILES notation for (4Z)-4-heptan-3-ylidene-3,3a-dihydro-2-benzofuran-1-one?
The canonical SMILES for (4Z)-4-heptan-3-ylidene-3,3a-dihydro-2-benzofuran-1-one is CCCC/C(CC)=C1/C=CC=C2C(=O)OCC21.
What is the InChIKey of (4Z)-4-heptan-3-ylidene-3,3a-dihydro-2-benzofuran-1-one?
The InChIKey is SPPRSAUQVZOVHP-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-5-7-11(4-2)12-8-6-9-13-14(12)10-17-15(13)16/h6,8-9,14H,3-5,7,10H2,1-2H3/b12-11-.
What are the key properties of (4Z)-4-heptan-3-ylidene-3,3a-dihydro-2-benzofuran-1-one?
(4Z)-4-heptan-3-ylidene-3,3a-dihydro-2-benzofuran-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-heptan-3-ylidene-3,3a-dihydro-2-benzofuran-1-one is sourced from PubChem (CID 139694618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).