2-[(E)-2-methylhept-3-en-4-yl]furan

C12H18O — CID 146324229

IUPAC2-[(E)-2-methylhept-3-en-4-yl]furan
SMILESCCC/C(=C\C(C)C)c1ccco1
InChIInChI=1S/C12H18O/c1-4-6-11(9-10(2)3)12-7-5-8-13-12/h5,7-10H,4,6H2,1-3H3/b11-9+
InChIKeySSOXKWBBMNQQHE-PKNBQFBNSA-N
MW178.28 g/mol
LogP4.12
Rot. Bonds4

About 2-[(E)-2-methylhept-3-en-4-yl]furan

2-[(E)-2-methylhept-3-en-4-yl]furan (PubChem CID 146324229) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-[(E)-2-methylhept-3-en-4-yl]furan.

Molecular Properties

Compound Name2-[(E)-2-methylhept-3-en-4-yl]furan
PubChem CID146324229
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name2-[(E)-2-methylhept-3-en-4-yl]furan
SMILESCCC/C(=C\C(C)C)c1ccco1
InChIInChI=1S/C12H18O/c1-4-6-11(9-10(2)3)12-7-5-8-13-12/h5,7-10H,4,6H2,1-3H3/b11-9+
InChIKeySSOXKWBBMNQQHE-PKNBQFBNSA-N
XLogP4.12
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(E)-2-methylhept-3-en-4-yl]furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(furan-2-yl)pent-2-enenitrile
CID 71383305
(Z)-3-(furan-2-yl)pent-2-enoic acid
CID 62632161
ethane;(E)-3-(furan-2-yl)pent-2-enenitrile
CID 159560899
2-hex-1-en-2-ylfuran
CID 91416997
1-(furan-2-yl)-2-methyldecane-1,3-dione
CID 62633228
N-[2-[2-(3-methyl-1-phenylbut-1-enyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 3679950
1-(furan-2-yl)undecan-1-one
CID 15721327
(Z)-1-(furan-2-yl)-1-hydroxy-4-methylpent-1-en-3-one
CID 171991292
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
2-ethyl-1-(furan-2-yl)butan-1-one
CID 14709528
furan-2-carboxylic acid;hexane
CID 157215891
2-[(E)-2-methyloct-3-en-4-yl]thiophene
CID 146324336

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-methylhept-3-en-4-yl]furan?
The IUPAC name of 2-[(E)-2-methylhept-3-en-4-yl]furan (CID 146324229) is 2-[(E)-2-methylhept-3-en-4-yl]furan.
What is the SMILES notation for 2-[(E)-2-methylhept-3-en-4-yl]furan?
The canonical SMILES for 2-[(E)-2-methylhept-3-en-4-yl]furan is CCC/C(=C\C(C)C)c1ccco1.
What is the InChIKey of 2-[(E)-2-methylhept-3-en-4-yl]furan?
The InChIKey is SSOXKWBBMNQQHE-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H18O/c1-4-6-11(9-10(2)3)12-7-5-8-13-12/h5,7-10H,4,6H2,1-3H3/b11-9+.
What are the key properties of 2-[(E)-2-methylhept-3-en-4-yl]furan?
2-[(E)-2-methylhept-3-en-4-yl]furan has a molecular weight of 178.28 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-methylhept-3-en-4-yl]furan is sourced from PubChem (CID 146324229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).