4,4-dimethylcyclohexane-1-carbaldehyde;(6E)-6-(methoxymethylidene)-3,3-dimethylcyclohexene

C19H32O2 — CID 161423581

IUPAC4,4-dimethylcyclohexane-1-carbaldehyde;(6E)-6-(methoxymethylidene)-3,3-dimethylcyclohexene
SMILESCC1(C)CCC(C=O)CC1.CO/C=C1/C=CC(C)(C)CC1
InChIInChI=1S/C10H16O.C9H16O/c1-10(2)6-4-9(5-7-10)8-11-3;1-9(2)5-3-8(7-10)4-6-9/h4,6,8H,5,7H2,1-3H3;7-8H,3-6H2,1-2H3/b9-8-;
InChIKeyVXBCUJAXLZDMOT-UOQXYWCXSA-N
MW292.46 g/mol
LogP5.29
Rot. Bonds2

About 4,4-dimethylcyclohexane-1-carbaldehyde;(6E)-6-(methoxymethylidene)-3,3-dimethylcyclohexene

4,4-dimethylcyclohexane-1-carbaldehyde;(6E)-6-(methoxymethylidene)-3,3-dimethylcyclohexene (PubChem CID 161423581) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 4,4-dimethylcyclohexane-1-carbaldehyde;(6E)-6-(methoxymethylidene)-3,3-dimethylcyclohexene.

Molecular Properties

Compound Name4,4-dimethylcyclohexane-1-carbaldehyde;(6E)-6-(methoxymethylidene)-3,3-dimethylcyclohexene
PubChem CID161423581
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name4,4-dimethylcyclohexane-1-carbaldehyde;(6E)-6-(methoxymethylidene)-3,3-dimethylcyclohexene
SMILESCC1(C)CCC(C=O)CC1.CO/C=C1/C=CC(C)(C)CC1
InChIInChI=1S/C10H16O.C9H16O/c1-10(2)6-4-9(5-7-10)8-11-3;1-9(2)5-3-8(7-10)4-6-9/h4,6,8H,5,7H2,1-3H3;7-8H,3-6H2,1-2H3/b9-8-;
InChIKeyVXBCUJAXLZDMOT-UOQXYWCXSA-N
XLogP5.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(methoxymethylidene)-3,3-dimethylcyclohexene
CID 77399967
cyclohexanecarbaldehyde;cyclohexanone;methoxymethylidenecyclohexane
CID 160501729
1,7a-dimethyl-3,3a,4,5,6,7-hexahydroindene-5-carbaldehyde
CID 130035554
1-methylcycloheptane-1,4-dicarbaldehyde
CID 154936654
ethyl (2E)-2-(4,4-dimethylcyclohex-2-en-1-ylidene)acetate
CID 23000922
(E)-3-(4,4-dimethylcyclohexyl)prop-2-enal
CID 130596296
(3Z)-3-(methoxymethylidene)-1,1-dimethyl-4-propan-2-ylcyclohexane
CID 177406107
4-methyliminocyclohexane-1-carbaldehyde
CID 163688514
3-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohex-3-ene-1-carbaldehyde
CID 141150590
1,1-dimethylcyclopropane;(2,5-dioxopyrrolidin-1-yl) formate
CID 164604016
4-methylidenecyclohexane-1-carbaldehyde
CID 15818136
(6E)-5,5-dimethylbicyclo[6.5.0]trideca-1(13),6,8,11-tetraen-2-one
CID 153357983

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylcyclohexane-1-carbaldehyde;(6E)-6-(methoxymethylidene)-3,3-dimethylcyclohexene?
The IUPAC name of 4,4-dimethylcyclohexane-1-carbaldehyde;(6E)-6-(methoxymethylidene)-3,3-dimethylcyclohexene (CID 161423581) is 4,4-dimethylcyclohexane-1-carbaldehyde;(6E)-6-(methoxymethylidene)-3,3-dimethylcyclohexene.
What is the SMILES notation for 4,4-dimethylcyclohexane-1-carbaldehyde;(6E)-6-(methoxymethylidene)-3,3-dimethylcyclohexene?
The canonical SMILES for 4,4-dimethylcyclohexane-1-carbaldehyde;(6E)-6-(methoxymethylidene)-3,3-dimethylcyclohexene is CC1(C)CCC(C=O)CC1.CO/C=C1/C=CC(C)(C)CC1.
What is the InChIKey of 4,4-dimethylcyclohexane-1-carbaldehyde;(6E)-6-(methoxymethylidene)-3,3-dimethylcyclohexene?
The InChIKey is VXBCUJAXLZDMOT-UOQXYWCXSA-N. The full InChI is InChI=1S/C10H16O.C9H16O/c1-10(2)6-4-9(5-7-10)8-11-3;1-9(2)5-3-8(7-10)4-6-9/h4,6,8H,5,7H2,1-3H3;7-8H,3-6H2,1-2H3/b9-8-;.
What are the key properties of 4,4-dimethylcyclohexane-1-carbaldehyde;(6E)-6-(methoxymethylidene)-3,3-dimethylcyclohexene?
4,4-dimethylcyclohexane-1-carbaldehyde;(6E)-6-(methoxymethylidene)-3,3-dimethylcyclohexene has a molecular weight of 292.46 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylcyclohexane-1-carbaldehyde;(6E)-6-(methoxymethylidene)-3,3-dimethylcyclohexene is sourced from PubChem (CID 161423581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).