3-(3-cyclohex-3-en-1-yl-2-cyclohexylprop-2-enyl)cyclohexene

C21H32 — CID 90947304

IUPAC3-(3-cyclohex-3-en-1-yl-2-cyclohexylprop-2-enyl)cyclohexene
SMILESC1=CC(CC(=CC2CC=CCC2)C2CCCCC2)CCC1
InChIInChI=1S/C21H32/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19/h1,4,6,12,16,18-20H,2-3,5,7-11,13-15,17H2
InChIKeyZGNFPKKEPGOULN-UHFFFAOYSA-N
MW284.49 g/mol
LogP6.60
Rot. Bonds4

About 3-(3-cyclohex-3-en-1-yl-2-cyclohexylprop-2-enyl)cyclohexene

3-(3-cyclohex-3-en-1-yl-2-cyclohexylprop-2-enyl)cyclohexene (PubChem CID 90947304) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is 3-(3-cyclohex-3-en-1-yl-2-cyclohexylprop-2-enyl)cyclohexene.

Molecular Properties

Compound Name3-(3-cyclohex-3-en-1-yl-2-cyclohexylprop-2-enyl)cyclohexene
PubChem CID90947304
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name3-(3-cyclohex-3-en-1-yl-2-cyclohexylprop-2-enyl)cyclohexene
SMILESC1=CC(CC(=CC2CC=CCC2)C2CCCCC2)CCC1
InChIInChI=1S/C21H32/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19/h1,4,6,12,16,18-20H,2-3,5,7-11,13-15,17H2
InChIKeyZGNFPKKEPGOULN-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohex-2-en-1-yl-1-cyclopentylethanone
CID 114620361
cyclooct-4-ene-1-carbaldehyde
CID 537409
1-[(1R)-cyclohept-2-en-1-yl]propan-2-one
CID 101360407
bis(cyclohex-2-en-1-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate
CID 163744531
(1Z)-3-ethylcyclooctene
CID 12870206
(1E)-3-prop-2-enylcyclododecene
CID 173111718
3-prop-2-enylcyclododecene
CID 173111720
(NE)-N-(2-cyclohex-2-en-1-ylethylidene)hydroxylamine
CID 24974434
[(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine
CID 166890494
(Z)-3-cyclohex-3-en-1-yl-2-(4-fluorophenyl)prop-2-en-1-ol
CID 19774242
(1Z)-6-chlorocyclopentadecene
CID 138480861
3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene
CID 71493570

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohex-3-en-1-yl-2-cyclohexylprop-2-enyl)cyclohexene?
The IUPAC name of 3-(3-cyclohex-3-en-1-yl-2-cyclohexylprop-2-enyl)cyclohexene (CID 90947304) is 3-(3-cyclohex-3-en-1-yl-2-cyclohexylprop-2-enyl)cyclohexene.
What is the SMILES notation for 3-(3-cyclohex-3-en-1-yl-2-cyclohexylprop-2-enyl)cyclohexene?
The canonical SMILES for 3-(3-cyclohex-3-en-1-yl-2-cyclohexylprop-2-enyl)cyclohexene is C1=CC(CC(=CC2CC=CCC2)C2CCCCC2)CCC1.
What is the InChIKey of 3-(3-cyclohex-3-en-1-yl-2-cyclohexylprop-2-enyl)cyclohexene?
The InChIKey is ZGNFPKKEPGOULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19/h1,4,6,12,16,18-20H,2-3,5,7-11,13-15,17H2.
What are the key properties of 3-(3-cyclohex-3-en-1-yl-2-cyclohexylprop-2-enyl)cyclohexene?
3-(3-cyclohex-3-en-1-yl-2-cyclohexylprop-2-enyl)cyclohexene has a molecular weight of 284.49 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohex-3-en-1-yl-2-cyclohexylprop-2-enyl)cyclohexene is sourced from PubChem (CID 90947304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).