4-(4-propan-2-ylcyclohexen-1-yl)cyclohexene-1-carbaldehyde

C16H24O — CID 88943328

IUPAC4-(4-propan-2-ylcyclohexen-1-yl)cyclohexene-1-carbaldehyde
SMILESCC(C)C1CC=C(C2CC=C(C=O)CC2)CC1
InChIInChI=1S/C16H24O/c1-12(2)14-7-9-16(10-8-14)15-5-3-13(11-17)4-6-15/h3,9,11-12,14-15H,4-8,10H2,1-2H3
InChIKeyWNCDFGWRNYEYPK-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.29
Rot. Bonds3

About 4-(4-propan-2-ylcyclohexen-1-yl)cyclohexene-1-carbaldehyde

4-(4-propan-2-ylcyclohexen-1-yl)cyclohexene-1-carbaldehyde (PubChem CID 88943328) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-(4-propan-2-ylcyclohexen-1-yl)cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name4-(4-propan-2-ylcyclohexen-1-yl)cyclohexene-1-carbaldehyde
PubChem CID88943328
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name4-(4-propan-2-ylcyclohexen-1-yl)cyclohexene-1-carbaldehyde
SMILESCC(C)C1CC=C(C2CC=C(C=O)CC2)CC1
InChIInChI=1S/C16H24O/c1-12(2)14-7-9-16(10-8-14)15-5-3-13(11-17)4-6-15/h3,9,11-12,14-15H,4-8,10H2,1-2H3
InChIKeyWNCDFGWRNYEYPK-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(5,5-dimethylcyclohexen-1-yl)cyclohexene-1-carbaldehyde
CID 90657647
(4-propan-2-ylcyclohexen-1-yl)oxidanium
CID 163435891
(4R,7S,10R)-4,10-dimethyl-7-propan-2-ylcyclodecene-1-carbaldehyde
CID 91581522
(4R)-4-propan-2-ylcyclohexene-1-carboxylic acid
CID 130944939
1-(4-propan-2-ylcyclohexen-1-yl)ethanone
CID 153373666
1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 75094485
(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 171904454
bicyclo[3.2.0]hept-1(7)-ene
CID 86002949
4-[(2S)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde
CID 129250076
(2S)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanal
CID 76958477
(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene
CID 160741124
4-methylbicyclo[4.2.0]oct-1-ene
CID 145440699

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylcyclohexen-1-yl)cyclohexene-1-carbaldehyde?
The IUPAC name of 4-(4-propan-2-ylcyclohexen-1-yl)cyclohexene-1-carbaldehyde (CID 88943328) is 4-(4-propan-2-ylcyclohexen-1-yl)cyclohexene-1-carbaldehyde.
What is the SMILES notation for 4-(4-propan-2-ylcyclohexen-1-yl)cyclohexene-1-carbaldehyde?
The canonical SMILES for 4-(4-propan-2-ylcyclohexen-1-yl)cyclohexene-1-carbaldehyde is CC(C)C1CC=C(C2CC=C(C=O)CC2)CC1.
What is the InChIKey of 4-(4-propan-2-ylcyclohexen-1-yl)cyclohexene-1-carbaldehyde?
The InChIKey is WNCDFGWRNYEYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-12(2)14-7-9-16(10-8-14)15-5-3-13(11-17)4-6-15/h3,9,11-12,14-15H,4-8,10H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylcyclohexen-1-yl)cyclohexene-1-carbaldehyde?
4-(4-propan-2-ylcyclohexen-1-yl)cyclohexene-1-carbaldehyde has a molecular weight of 232.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylcyclohexen-1-yl)cyclohexene-1-carbaldehyde is sourced from PubChem (CID 88943328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).