(3-ethylidene-2,5-dimethylhept-1-en-4-ylidene)cyclopentane

C16H26 — CID 123592439

IUPAC(3-ethylidene-2,5-dimethylhept-1-en-4-ylidene)cyclopentane
SMILESC=C(C)C(=CC)C(=C1CCCC1)C(C)CC
InChIInChI=1S/C16H26/c1-6-13(5)16(14-10-8-9-11-14)15(7-2)12(3)4/h7,13H,3,6,8-11H2,1-2,4-5H3
InChIKeyWAMXTEILKUKPPV-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.43
Rot. Bonds4

About (3-ethylidene-2,5-dimethylhept-1-en-4-ylidene)cyclopentane

(3-ethylidene-2,5-dimethylhept-1-en-4-ylidene)cyclopentane (PubChem CID 123592439) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is (3-ethylidene-2,5-dimethylhept-1-en-4-ylidene)cyclopentane.

Molecular Properties

Compound Name(3-ethylidene-2,5-dimethylhept-1-en-4-ylidene)cyclopentane
PubChem CID123592439
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name(3-ethylidene-2,5-dimethylhept-1-en-4-ylidene)cyclopentane
SMILESC=C(C)C(=CC)C(=C1CCCC1)C(C)CC
InChIInChI=1S/C16H26/c1-6-13(5)16(14-10-8-9-11-14)15(7-2)12(3)4/h7,13H,3,6,8-11H2,1-2,4-5H3
InChIKeyWAMXTEILKUKPPV-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-methyl-4-methylidenehept-2-ene
CID 142042502
1-cyclobutylidene-N-ethyl-2-methylbutan-1-amine
CID 154963157
2,3-dimethylpent-1-ene;ethane
CID 143286891
(4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene
CID 166480860
(3R)-3-methylpent-1-en-2-ol
CID 89203555
(NE)-N-[(3R)-3-methyl-2-methylidenepentylidene]hydroxylamine
CID 177442620
N-(cyclohexylidenemethyl)-2-methylbutanamide
CID 91359968
3-methylheptan-2-ylidenecyclobutane
CID 123717817
(3-ethyl-5-methylhexan-2-ylidene)cyclobutane
CID 123584508
3-ethenyl-N-(3-methylpent-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 146284458
2,4-dimethyl-3-methylidenehexane
CID 90734956
N-ethenyl-3-methyl-N-(2-methylprop-2-enyl)pent-1-en-2-amine
CID 135142346

Frequently Asked Questions

What is the IUPAC name of (3-ethylidene-2,5-dimethylhept-1-en-4-ylidene)cyclopentane?
The IUPAC name of (3-ethylidene-2,5-dimethylhept-1-en-4-ylidene)cyclopentane (CID 123592439) is (3-ethylidene-2,5-dimethylhept-1-en-4-ylidene)cyclopentane.
What is the SMILES notation for (3-ethylidene-2,5-dimethylhept-1-en-4-ylidene)cyclopentane?
The canonical SMILES for (3-ethylidene-2,5-dimethylhept-1-en-4-ylidene)cyclopentane is C=C(C)C(=CC)C(=C1CCCC1)C(C)CC.
What is the InChIKey of (3-ethylidene-2,5-dimethylhept-1-en-4-ylidene)cyclopentane?
The InChIKey is WAMXTEILKUKPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-6-13(5)16(14-10-8-9-11-14)15(7-2)12(3)4/h7,13H,3,6,8-11H2,1-2,4-5H3.
What are the key properties of (3-ethylidene-2,5-dimethylhept-1-en-4-ylidene)cyclopentane?
(3-ethylidene-2,5-dimethylhept-1-en-4-ylidene)cyclopentane has a molecular weight of 218.38 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylidene-2,5-dimethylhept-1-en-4-ylidene)cyclopentane is sourced from PubChem (CID 123592439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).