cyclohexanecarbaldehyde;1-prop-2-enylcyclohexane-1-carbaldehyde

C17H28O2 — CID 158217292

IUPACcyclohexanecarbaldehyde;1-prop-2-enylcyclohexane-1-carbaldehyde
SMILESC=CCC1(C=O)CCCCC1.O=CC1CCCCC1
InChIInChI=1S/C10H16O.C7H12O/c1-2-6-10(9-11)7-4-3-5-8-10;8-6-7-4-2-1-3-5-7/h2,9H,1,3-8H2;6-7H,1-5H2
InChIKeyGCUUNWBWJHJYFV-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.48
Rot. Bonds4

About cyclohexanecarbaldehyde;1-prop-2-enylcyclohexane-1-carbaldehyde

cyclohexanecarbaldehyde;1-prop-2-enylcyclohexane-1-carbaldehyde (PubChem CID 158217292) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is cyclohexanecarbaldehyde;1-prop-2-enylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Namecyclohexanecarbaldehyde;1-prop-2-enylcyclohexane-1-carbaldehyde
PubChem CID158217292
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Namecyclohexanecarbaldehyde;1-prop-2-enylcyclohexane-1-carbaldehyde
SMILESC=CCC1(C=O)CCCCC1.O=CC1CCCCC1
InChIInChI=1S/C10H16O.C7H12O/c1-2-6-10(9-11)7-4-3-5-8-10;8-6-7-4-2-1-3-5-7/h2,9H,1,3-8H2;6-7H,1-5H2
InChIKeyGCUUNWBWJHJYFV-UHFFFAOYSA-N
XLogP4.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-oxoethyl)cyclohexane-1-carbaldehyde
CID 89249551
cyclodecanecarbaldehyde
CID 13240747
cyclooctane-1,4-dicarbaldehyde
CID 19884381
cyclopentadecane-1,5-dicarbaldehyde
CID 135390185
1-[(E)-3-chloroprop-2-enyl]cyclohexane-1-carbaldehyde
CID 131232284
carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+)
CID 91654218
cyclooctane-1,5-dicarbaldehyde
CID 18542113
benzene;cyclohexanecarbaldehyde
CID 174845063
4-ethenylcyclohexane-1-carbaldehyde
CID 15509286
cyclohexyl-(1-prop-2-enylcyclohexyl)methanone
CID 174667942
ethenylcyclotetradecane
CID 123915888
ethenylcyclononane
CID 123465789

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarbaldehyde;1-prop-2-enylcyclohexane-1-carbaldehyde?
The IUPAC name of cyclohexanecarbaldehyde;1-prop-2-enylcyclohexane-1-carbaldehyde (CID 158217292) is cyclohexanecarbaldehyde;1-prop-2-enylcyclohexane-1-carbaldehyde.
What is the SMILES notation for cyclohexanecarbaldehyde;1-prop-2-enylcyclohexane-1-carbaldehyde?
The canonical SMILES for cyclohexanecarbaldehyde;1-prop-2-enylcyclohexane-1-carbaldehyde is C=CCC1(C=O)CCCCC1.O=CC1CCCCC1.
What is the InChIKey of cyclohexanecarbaldehyde;1-prop-2-enylcyclohexane-1-carbaldehyde?
The InChIKey is GCUUNWBWJHJYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O.C7H12O/c1-2-6-10(9-11)7-4-3-5-8-10;8-6-7-4-2-1-3-5-7/h2,9H,1,3-8H2;6-7H,1-5H2.
What are the key properties of cyclohexanecarbaldehyde;1-prop-2-enylcyclohexane-1-carbaldehyde?
cyclohexanecarbaldehyde;1-prop-2-enylcyclohexane-1-carbaldehyde has a molecular weight of 264.41 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarbaldehyde;1-prop-2-enylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 158217292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).