2,6,6-trimethylcyclohexene-1-carbaldehyde

C10H16O — CID 9895

IUPAC2,6,6-trimethylcyclohexene-1-carbaldehyde
SMILESCC1=C(C=O)C(C)(C)CCC1
InChIInChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
InChIKeyMOQGCGNUWBPGTQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds1

About 2,6,6-trimethylcyclohexene-1-carbaldehyde

2,6,6-trimethylcyclohexene-1-carbaldehyde (PubChem CID 9895) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,6,6-trimethylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name2,6,6-trimethylcyclohexene-1-carbaldehyde
PubChem CID9895
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2,6,6-trimethylcyclohexene-1-carbaldehyde
SMILESCC1=C(C=O)C(C)(C)CCC1
InChIInChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
InChIKeyMOQGCGNUWBPGTQ-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

beta-HOMOCYCLOCITRAL
CID 61124
1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
CID 106684
2-Methyl-4-(2,6,6-trimethylcyclohex-2-EN-1-YL)butanal
CID 175482
Cyclohexenebutanal, alpha,2,2,6-tetramethyl-
CID 103381
1-Cyclohexene-1-propanal, 4,4-dimethyl-
CID 22336879
1,3,4-Trimethyl-3-cyclohexen-1-carboxaldehyde
CID 38621
3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methyl-3-penten-1-yl)-
CID 95596
Precyclemone B
CID 103648
alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal
CID 579157
1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde
CID 112226
6-Methyl-4,6-bis(4-methylpent-3-en-1-yl)cyclohexa-1,3-dienecarbaldehyde
CID 11346708
2,4,4-Trimethyl-3-(3-oxobutyl)cyclohex-2-enone
CID 596567

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethylcyclohexene-1-carbaldehyde?
The IUPAC name of 2,6,6-trimethylcyclohexene-1-carbaldehyde (CID 9895) is 2,6,6-trimethylcyclohexene-1-carbaldehyde.
What is the SMILES notation for 2,6,6-trimethylcyclohexene-1-carbaldehyde?
The canonical SMILES for 2,6,6-trimethylcyclohexene-1-carbaldehyde is CC1=C(C=O)C(C)(C)CCC1.
What is the InChIKey of 2,6,6-trimethylcyclohexene-1-carbaldehyde?
The InChIKey is MOQGCGNUWBPGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3.
What are the key properties of 2,6,6-trimethylcyclohexene-1-carbaldehyde?
2,6,6-trimethylcyclohexene-1-carbaldehyde has a molecular weight of 152.24 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 9895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).