(6E)-6-hept-6-enylidene-7-methylidene-2,3,3a,4,5,7a-hexahydro-1H-indene

C17H26 — CID 134860078

IUPAC(6E)-6-hept-6-enylidene-7-methylidene-2,3,3a,4,5,7a-hexahydro-1H-indene
SMILESC=CCCCC/C=C1\CCC2CCCC2C1=C
InChIInChI=1S/C17H26/c1-3-4-5-6-7-9-15-12-13-16-10-8-11-17(16)14(15)2/h3,9,16-17H,1-2,4-8,10-13H2/b15-9+
InChIKeyKFEMTESPBPHLOM-OQLLNIDSSA-N
MW230.39 g/mol
LogP5.43
Rot. Bonds5

About (6E)-6-hept-6-enylidene-7-methylidene-2,3,3a,4,5,7a-hexahydro-1H-indene

(6E)-6-hept-6-enylidene-7-methylidene-2,3,3a,4,5,7a-hexahydro-1H-indene (PubChem CID 134860078) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is (6E)-6-hept-6-enylidene-7-methylidene-2,3,3a,4,5,7a-hexahydro-1H-indene.

Molecular Properties

Compound Name(6E)-6-hept-6-enylidene-7-methylidene-2,3,3a,4,5,7a-hexahydro-1H-indene
PubChem CID134860078
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name(6E)-6-hept-6-enylidene-7-methylidene-2,3,3a,4,5,7a-hexahydro-1H-indene
SMILESC=CCCCC/C=C1\CCC2CCCC2C1=C
InChIInChI=1S/C17H26/c1-3-4-5-6-7-9-15-12-13-16-10-8-11-17(16)14(15)2/h3,9,16-17H,1-2,4-8,10-13H2/b15-9+
InChIKeyKFEMTESPBPHLOM-OQLLNIDSSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6E)-6-hept-6-enylidene-7-methylidene-2,3,3a,4,5,7a-hexahydro-1H-indene 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

9-hex-5-enyl-9-borabicyclo[3.3.1]nonane
CID 577399
(3Z)-3-hept-6-enylidenecyclopentan-1-amine
CID 107010634
1-hept-6-enylidene-3-methylcyclopentane
CID 173177618
9-pent-4-enyl-9-borabicyclo[3.3.1]nonane
CID 68718251
hex-5-enylcyclopentane
CID 20565123
heptadeca-1,16-diene
CID 6429392
heptacosa-1,26-diene
CID 58905535
1-ethenyl-2-[(3E)-3-(2-methylidenecyclopentylidene)propyl]cyclohexane
CID 134860197
3-hept-6-enylcyclohex-2-en-1-ol
CID 107010524
N-hept-6-enylcyclobutanamine
CID 107006782
1-methylidene-2-pent-4-enylidenecyclopropane
CID 123453867
2-hept-6-enylcyclopentan-1-one
CID 107007757

Frequently Asked Questions

What is the IUPAC name of (6E)-6-hept-6-enylidene-7-methylidene-2,3,3a,4,5,7a-hexahydro-1H-indene?
The IUPAC name of (6E)-6-hept-6-enylidene-7-methylidene-2,3,3a,4,5,7a-hexahydro-1H-indene (CID 134860078) is (6E)-6-hept-6-enylidene-7-methylidene-2,3,3a,4,5,7a-hexahydro-1H-indene.
What is the SMILES notation for (6E)-6-hept-6-enylidene-7-methylidene-2,3,3a,4,5,7a-hexahydro-1H-indene?
The canonical SMILES for (6E)-6-hept-6-enylidene-7-methylidene-2,3,3a,4,5,7a-hexahydro-1H-indene is C=CCCCC/C=C1\CCC2CCCC2C1=C.
What is the InChIKey of (6E)-6-hept-6-enylidene-7-methylidene-2,3,3a,4,5,7a-hexahydro-1H-indene?
The InChIKey is KFEMTESPBPHLOM-OQLLNIDSSA-N. The full InChI is InChI=1S/C17H26/c1-3-4-5-6-7-9-15-12-13-16-10-8-11-17(16)14(15)2/h3,9,16-17H,1-2,4-8,10-13H2/b15-9+.
What are the key properties of (6E)-6-hept-6-enylidene-7-methylidene-2,3,3a,4,5,7a-hexahydro-1H-indene?
(6E)-6-hept-6-enylidene-7-methylidene-2,3,3a,4,5,7a-hexahydro-1H-indene has a molecular weight of 230.39 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-hept-6-enylidene-7-methylidene-2,3,3a,4,5,7a-hexahydro-1H-indene is sourced from PubChem (CID 134860078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).