3-(1,1-dimethoxyethyl)-1,1-dimethylcyclohexane

C12H24O2 — CID 14817847

IUPAC3-(1,1-dimethoxyethyl)-1,1-dimethylcyclohexane
SMILESCOC(C)(OC)C1CCCC(C)(C)C1
InChIInChI=1S/C12H24O2/c1-11(2)8-6-7-10(9-11)12(3,13-4)14-5/h10H,6-9H2,1-5H3
InChIKeySXQMZBACJKRJPX-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.21
Rot. Bonds3

About 3-(1,1-dimethoxyethyl)-1,1-dimethylcyclohexane

3-(1,1-dimethoxyethyl)-1,1-dimethylcyclohexane (PubChem CID 14817847) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-(1,1-dimethoxyethyl)-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name3-(1,1-dimethoxyethyl)-1,1-dimethylcyclohexane
PubChem CID14817847
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-(1,1-dimethoxyethyl)-1,1-dimethylcyclohexane
SMILESCOC(C)(OC)C1CCCC(C)(C)C1
InChIInChI=1S/C12H24O2/c1-11(2)8-6-7-10(9-11)12(3,13-4)14-5/h10H,6-9H2,1-5H3
InChIKeySXQMZBACJKRJPX-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-Tert-butyl-1,1-dimethoxycyclohexane
CID 10921547
(Trimethoxymethyl)cyclohexane
CID 6950209
2-Methylcyclohexanone dimethyl acetal
CID 10374699
4-Ethylcyclohexanone dimethyl acetal
CID 15185624
2-Ethylcyclohexanone dimethyl acetal
CID 100962144
2,6-Dimethylcyclohexanone dimethyl acetal
CID 129777340
3,3,5-Trimethyl-cylcohexanone-dimethylacetal
CID 10997755
1,1-Dimethoxy-3,3,5,5-tetramethylcyclohexane
CID 85950288
2-Isopropylcyclo-hexanone dimethyl acetal
CID 100962145
3-Ethylcyclohexanone dimethyl acetal
CID 100962146
3-Isopropylcyclohexanone dimethyl acetal
CID 100962147
3-t-Butylcyclohexanone dimethyl acetal
CID 100962148

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dimethoxyethyl)-1,1-dimethylcyclohexane?
The IUPAC name of 3-(1,1-dimethoxyethyl)-1,1-dimethylcyclohexane (CID 14817847) is 3-(1,1-dimethoxyethyl)-1,1-dimethylcyclohexane.
What is the SMILES notation for 3-(1,1-dimethoxyethyl)-1,1-dimethylcyclohexane?
The canonical SMILES for 3-(1,1-dimethoxyethyl)-1,1-dimethylcyclohexane is COC(C)(OC)C1CCCC(C)(C)C1.
What is the InChIKey of 3-(1,1-dimethoxyethyl)-1,1-dimethylcyclohexane?
The InChIKey is SXQMZBACJKRJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-11(2)8-6-7-10(9-11)12(3,13-4)14-5/h10H,6-9H2,1-5H3.
What are the key properties of 3-(1,1-dimethoxyethyl)-1,1-dimethylcyclohexane?
3-(1,1-dimethoxyethyl)-1,1-dimethylcyclohexane has a molecular weight of 200.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dimethoxyethyl)-1,1-dimethylcyclohexane is sourced from PubChem (CID 14817847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).