6-(1,3-dioxolan-2-yl)-2,6-dimethylcyclohexene-1-carbaldehyde

C12H18O3 — CID 14778497

IUPAC6-(1,3-dioxolan-2-yl)-2,6-dimethylcyclohexene-1-carbaldehyde
SMILESCC1=C(C=O)C(C)(C2OCCO2)CCC1
InChIInChI=1S/C12H18O3/c1-9-4-3-5-12(2,10(9)8-13)11-14-6-7-15-11/h8,11H,3-7H2,1-2H3
InChIKeySBAZHOZEPDPTMC-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.06
Rot. Bonds2

About 6-(1,3-dioxolan-2-yl)-2,6-dimethylcyclohexene-1-carbaldehyde

6-(1,3-dioxolan-2-yl)-2,6-dimethylcyclohexene-1-carbaldehyde (PubChem CID 14778497) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 6-(1,3-dioxolan-2-yl)-2,6-dimethylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name6-(1,3-dioxolan-2-yl)-2,6-dimethylcyclohexene-1-carbaldehyde
PubChem CID14778497
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name6-(1,3-dioxolan-2-yl)-2,6-dimethylcyclohexene-1-carbaldehyde
SMILESCC1=C(C=O)C(C)(C2OCCO2)CCC1
InChIInChI=1S/C12H18O3/c1-9-4-3-5-12(2,10(9)8-13)11-14-6-7-15-11/h8,11H,3-7H2,1-2H3
InChIKeySBAZHOZEPDPTMC-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-[Ethylenedioxy)-2,6,6-trimethyl-1-cyclohexencarboxaldehyde
CID 11138371
5-[2-(1,3-Dioxolan-2-yl)-ethyl]-2-methyl-1-cyclopentene-1-carboxaldehyde
CID 552564
6-(Methoxymethoxymethyl)-2,6-dimethylcyclohexene-1-carbaldehyde
CID 14778493
2-[2-(1,3-Dioxolan-2-yl)ethyl]-3,5,5-trimethylcyclohex-2-en-1-one
CID 16084270
7,9,9-Trimethyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde
CID 14240044
3-[2-(1,3-Dioxolan-2-yl)ethyl]-5,5-dimethylcyclohex-2-en-1-one
CID 10331223
5-(1,3-Dioxolan-2-yl)-2,6,6-trimethylcyclohexene-1-carbaldehyde
CID 10609192
6,8,8-Trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde
CID 10680009
2-[5-(1,3-Dioxolan-2-yl)-2,6,6-trimethylcyclohexen-1-yl]acetaldehyde
CID 10799966
6,8,8-Trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde
CID 10822350
2-(6,6,8-Trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)acetaldehyde
CID 11020537
(6R)-6-[3-(1,3-dioxolan-2-yl)propyl]-5,5-dimethylcyclohexene-1-carbaldehyde
CID 53473167

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxolan-2-yl)-2,6-dimethylcyclohexene-1-carbaldehyde?
The IUPAC name of 6-(1,3-dioxolan-2-yl)-2,6-dimethylcyclohexene-1-carbaldehyde (CID 14778497) is 6-(1,3-dioxolan-2-yl)-2,6-dimethylcyclohexene-1-carbaldehyde.
What is the SMILES notation for 6-(1,3-dioxolan-2-yl)-2,6-dimethylcyclohexene-1-carbaldehyde?
The canonical SMILES for 6-(1,3-dioxolan-2-yl)-2,6-dimethylcyclohexene-1-carbaldehyde is CC1=C(C=O)C(C)(C2OCCO2)CCC1.
What is the InChIKey of 6-(1,3-dioxolan-2-yl)-2,6-dimethylcyclohexene-1-carbaldehyde?
The InChIKey is SBAZHOZEPDPTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-9-4-3-5-12(2,10(9)8-13)11-14-6-7-15-11/h8,11H,3-7H2,1-2H3.
What are the key properties of 6-(1,3-dioxolan-2-yl)-2,6-dimethylcyclohexene-1-carbaldehyde?
6-(1,3-dioxolan-2-yl)-2,6-dimethylcyclohexene-1-carbaldehyde has a molecular weight of 210.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxolan-2-yl)-2,6-dimethylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 14778497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).