3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene

C21H40 — CID 157050513

IUPAC3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene
SMILESCC/C=C(/C)CC.CC/C=C(\C)CC.CC1C=CC(C)C1
InChIInChI=1S/C7H12.2C7H14/c1-6-3-4-7(2)5-6;2*1-4-6-7(3)5-2/h3-4,6-7H,5H2,1-2H3;2*6H,4-5H2,1-3H3/b;7-6+;7-6-
InChIKeyAADMFMBRQBQPST-OUYYKFNVSA-N
MW292.55 g/mol
LogP7.72
Rot. Bonds4

About 3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene

3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene (PubChem CID 157050513) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene.

Molecular Properties

Compound Name3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene
PubChem CID157050513
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene
SMILESCC/C=C(/C)CC.CC/C=C(\C)CC.CC1C=CC(C)C1
InChIInChI=1S/C7H12.2C7H14/c1-6-3-4-7(2)5-6;2*1-4-6-7(3)5-2/h3-4,6-7H,5H2,1-2H3;2*6H,4-5H2,1-3H3/b;7-6+;7-6-
InChIKeyAADMFMBRQBQPST-OUYYKFNVSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene with MolForge

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Related Compounds

methane;(E)-3-methylhex-3-ene
CID 157350431
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CID 170712386
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CID 160792784
1-(4-methylcyclopent-2-en-1-yl)propan-1-one
CID 59444303
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CID 143325002
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CID 54471932
1-(3-methylpent-2-enyl)cyclopropene
CID 123369820
[(E)-2-methylpent-2-enyl]cyclohexane
CID 143898911
5-(2-ethylidene-5-methylhept-4-enyl)bicyclo[2.2.1]hept-2-ene
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actinium;4-methylcyclopent-2-en-1-ol
CID 20708728

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene?
The IUPAC name of 3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene (CID 157050513) is 3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene.
What is the SMILES notation for 3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene?
The canonical SMILES for 3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene is CC/C=C(/C)CC.CC/C=C(\C)CC.CC1C=CC(C)C1.
What is the InChIKey of 3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene?
The InChIKey is AADMFMBRQBQPST-OUYYKFNVSA-N. The full InChI is InChI=1S/C7H12.2C7H14/c1-6-3-4-7(2)5-6;2*1-4-6-7(3)5-2/h3-4,6-7H,5H2,1-2H3;2*6H,4-5H2,1-3H3/b;7-6+;7-6-.
What are the key properties of 3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene?
3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene has a molecular weight of 292.55 g/mol, XLogP of 7.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene is sourced from PubChem (CID 157050513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).