1,3-dimethylcyclohex-2-ene-1,2-dicarbaldehyde

C10H14O2 — CID 14778498

IUPAC1,3-dimethylcyclohex-2-ene-1,2-dicarbaldehyde
SMILESCC1=C(C=O)C(C)(C=O)CCC1
InChIInChI=1S/C10H14O2/c1-8-4-3-5-10(2,7-12)9(8)6-11/h6-7H,3-5H2,1-2H3
InChIKeyGWFJMHDQGRIEBB-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.89
Rot. Bonds2

About 1,3-dimethylcyclohex-2-ene-1,2-dicarbaldehyde

1,3-dimethylcyclohex-2-ene-1,2-dicarbaldehyde (PubChem CID 14778498) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1,3-dimethylcyclohex-2-ene-1,2-dicarbaldehyde.

Molecular Properties

Compound Name1,3-dimethylcyclohex-2-ene-1,2-dicarbaldehyde
PubChem CID14778498
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1,3-dimethylcyclohex-2-ene-1,2-dicarbaldehyde
SMILESCC1=C(C=O)C(C)(C=O)CCC1
InChIInChI=1S/C10H14O2/c1-8-4-3-5-10(2,7-12)9(8)6-11/h6-7H,3-5H2,1-2H3
InChIKeyGWFJMHDQGRIEBB-UHFFFAOYSA-N
XLogP1.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6,6-tri((113C)methyl)(1,2,3,4,5,6-13C6)cyclohexene-1-carbaldehyde
CID 11228964
2,6-dimethyl-6-prop-2-enylcyclohexene-1-carbaldehyde
CID 121014603
(2E,4E,6E,8E)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
CID 15517576
2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]benzaldehyde
CID 59086530
(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoic acid
CID 5383969
4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 77238031
(4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal
CID 148810051
(2Z,4E)-3-chloro-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal
CID 10776362
(E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide
CID 10561866
N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine
CID 57117640
ethane;4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]benzaldehyde
CID 142889389
(1E,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
CID 86310428

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylcyclohex-2-ene-1,2-dicarbaldehyde?
The IUPAC name of 1,3-dimethylcyclohex-2-ene-1,2-dicarbaldehyde (CID 14778498) is 1,3-dimethylcyclohex-2-ene-1,2-dicarbaldehyde.
What is the SMILES notation for 1,3-dimethylcyclohex-2-ene-1,2-dicarbaldehyde?
The canonical SMILES for 1,3-dimethylcyclohex-2-ene-1,2-dicarbaldehyde is CC1=C(C=O)C(C)(C=O)CCC1.
What is the InChIKey of 1,3-dimethylcyclohex-2-ene-1,2-dicarbaldehyde?
The InChIKey is GWFJMHDQGRIEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8-4-3-5-10(2,7-12)9(8)6-11/h6-7H,3-5H2,1-2H3.
What are the key properties of 1,3-dimethylcyclohex-2-ene-1,2-dicarbaldehyde?
1,3-dimethylcyclohex-2-ene-1,2-dicarbaldehyde has a molecular weight of 166.22 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylcyclohex-2-ene-1,2-dicarbaldehyde is sourced from PubChem (CID 14778498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).