3,5,5-trimethylcyclohexene-1-carbaldehyde

C10H16O — CID 11084067

IUPAC3,5,5-trimethylcyclohexene-1-carbaldehyde
SMILESCC1C=C(C=O)CC(C)(C)C1
InChIInChI=1S/C10H16O/c1-8-4-9(7-11)6-10(2,3)5-8/h4,7-8H,5-6H2,1-3H3
InChIKeyZBWQEYVSUXQHTP-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds1

About 3,5,5-trimethylcyclohexene-1-carbaldehyde

3,5,5-trimethylcyclohexene-1-carbaldehyde (PubChem CID 11084067) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3,5,5-trimethylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name3,5,5-trimethylcyclohexene-1-carbaldehyde
PubChem CID11084067
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3,5,5-trimethylcyclohexene-1-carbaldehyde
SMILESCC1C=C(C=O)CC(C)(C)C1
InChIInChI=1S/C10H16O/c1-8-4-9(7-11)6-10(2,3)5-8/h4,7-8H,5-6H2,1-3H3
InChIKeyZBWQEYVSUXQHTP-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethylcyclohexene-1-carbaldehyde?
The IUPAC name of 3,5,5-trimethylcyclohexene-1-carbaldehyde (CID 11084067) is 3,5,5-trimethylcyclohexene-1-carbaldehyde.
What is the SMILES notation for 3,5,5-trimethylcyclohexene-1-carbaldehyde?
The canonical SMILES for 3,5,5-trimethylcyclohexene-1-carbaldehyde is CC1C=C(C=O)CC(C)(C)C1.
What is the InChIKey of 3,5,5-trimethylcyclohexene-1-carbaldehyde?
The InChIKey is ZBWQEYVSUXQHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-4-9(7-11)6-10(2,3)5-8/h4,7-8H,5-6H2,1-3H3.
What are the key properties of 3,5,5-trimethylcyclohexene-1-carbaldehyde?
3,5,5-trimethylcyclohexene-1-carbaldehyde has a molecular weight of 152.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 11084067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).