2,3,6-trimethylcyclohex-2-ene-1-carbaldehyde

C10H16O — CID 87129296

IUPAC2,3,6-trimethylcyclohex-2-ene-1-carbaldehyde
SMILESCC1=C(C)C(C=O)C(C)CC1
InChIInChI=1S/C10H16O/c1-7-4-5-8(2)10(6-11)9(7)3/h6,8,10H,4-5H2,1-3H3
InChIKeyIICAKMKYYHFCBE-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds1

About 2,3,6-trimethylcyclohex-2-ene-1-carbaldehyde

2,3,6-trimethylcyclohex-2-ene-1-carbaldehyde (PubChem CID 87129296) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,3,6-trimethylcyclohex-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name2,3,6-trimethylcyclohex-2-ene-1-carbaldehyde
PubChem CID87129296
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2,3,6-trimethylcyclohex-2-ene-1-carbaldehyde
SMILESCC1=C(C)C(C=O)C(C)CC1
InChIInChI=1S/C10H16O/c1-7-4-5-8(2)10(6-11)9(7)3/h6,8,10H,4-5H2,1-3H3
InChIKeyIICAKMKYYHFCBE-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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,3,6-trimethylcyclohex-2-ene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carbaldehyde
CID 131076653
(6R,7S)-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-carbaldehyde
CID 131145401
(1S,6S)-3,4,6-trimethylcyclohex-3-ene-1-carbaldehyde
CID 7077317
3-[1-formyl-4-(4-hydroxy-4-methylpentyl)cyclohex-3-en-1-yl]-2,6-dimethylcyclohex-2-ene-1-carbaldehyde
CID 90083754
2-(dimethylamino)-3-methylcyclopent-2-ene-1-carbaldehyde
CID 175086713
(6S)-3,6-dimethyl-7-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene
CID 91748721
(3S,3aR)-3,8-dimethyl-2,3,3a,4,6,7-hexahydro-1H-azulen-5-one
CID 10726011
3-bromo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde
CID 71604756
3,4-dimethylcyclohexan-1-one;ethane
CID 142187716
2,4-dimethylcyclohexene-1-carbaldehyde
CID 23505473
2-ethenyl-3-methoxy-1,4-dimethylcyclohexene
CID 178088287
2,3-dimethylcycloprop-2-ene-1-carbaldehyde
CID 12721589

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethylcyclohex-2-ene-1-carbaldehyde?
The IUPAC name of 2,3,6-trimethylcyclohex-2-ene-1-carbaldehyde (CID 87129296) is 2,3,6-trimethylcyclohex-2-ene-1-carbaldehyde.
What is the SMILES notation for 2,3,6-trimethylcyclohex-2-ene-1-carbaldehyde?
The canonical SMILES for 2,3,6-trimethylcyclohex-2-ene-1-carbaldehyde is CC1=C(C)C(C=O)C(C)CC1.
What is the InChIKey of 2,3,6-trimethylcyclohex-2-ene-1-carbaldehyde?
The InChIKey is IICAKMKYYHFCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7-4-5-8(2)10(6-11)9(7)3/h6,8,10H,4-5H2,1-3H3.
What are the key properties of 2,3,6-trimethylcyclohex-2-ene-1-carbaldehyde?
2,3,6-trimethylcyclohex-2-ene-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 2,3,6-trimethylcyclohex-2-ene-1-carbaldehyde is sourced from PubChem (CID 87129296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).