dimethoxymethylcyclohexane

C9H18O2 — CID 10942729

IUPACdimethoxymethylcyclohexane
SMILESCOC(OC)C1CCCCC1
InChIInChI=1S/C9H18O2/c1-10-9(11-2)8-6-4-3-5-7-8/h8-9H,3-7H2,1-2H3
InChIKeyKTHCQQOZHFQACO-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.19
Rot. Bonds3

About dimethoxymethylcyclohexane

dimethoxymethylcyclohexane (PubChem CID 10942729) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is dimethoxymethylcyclohexane.

Molecular Properties

Compound Namedimethoxymethylcyclohexane
PubChem CID10942729
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Namedimethoxymethylcyclohexane
SMILESCOC(OC)C1CCCCC1
InChIInChI=1S/C9H18O2/c1-10-9(11-2)8-6-4-3-5-7-8/h8-9H,3-7H2,1-2H3
InChIKeyKTHCQQOZHFQACO-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.19
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

2-Methylundecanal dimethyl acetal
CID 109183
Octane, 1,1-dimethoxy-3,7-dimethyl-
CID 109187
1,1-Diethoxyisooctane
CID 112252
3-(Dimethoxymethyl)heptane
CID 85702
(Trimethoxymethyl)cyclohexane
CID 6950209
2-Propylpentanal dimethyl acetal
CID 130158
2-Methylcyclohexanone dimethyl acetal
CID 10374699
Cyclohexylacetaldehyde dimethyl acetal
CID 11052116
2-Cyclohexyl-1,3-dioxane
CID 11344247
1,1-Diethoxy-2-ethylhexane
CID 12504289
Carbonic acid, ethyl cyclohexylmethyl ester
CID 23388344
Carbonic acid, propyl cyclohexylmethyl ester
CID 54355814

Frequently Asked Questions

What is the IUPAC name of dimethoxymethylcyclohexane?
The IUPAC name of dimethoxymethylcyclohexane (CID 10942729) is dimethoxymethylcyclohexane.
What is the SMILES notation for dimethoxymethylcyclohexane?
The canonical SMILES for dimethoxymethylcyclohexane is COC(OC)C1CCCCC1.
What is the InChIKey of dimethoxymethylcyclohexane?
The InChIKey is KTHCQQOZHFQACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-10-9(11-2)8-6-4-3-5-7-8/h8-9H,3-7H2,1-2H3.
What are the key properties of dimethoxymethylcyclohexane?
dimethoxymethylcyclohexane has a molecular weight of 158.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethylcyclohexane is sourced from PubChem (CID 10942729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).