3-(dimethoxymethyl)-1-methylcyclohexene

C10H18O2 — CID 24977288

IUPAC3-(dimethoxymethyl)-1-methylcyclohexene
SMILESCOC(OC)C1C=C(C)CCC1
InChIInChI=1S/C10H18O2/c1-8-5-4-6-9(7-8)10(11-2)12-3/h7,9-10H,4-6H2,1-3H3
InChIKeyMWWZNXHBLHFQCV-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds3

About 3-(dimethoxymethyl)-1-methylcyclohexene

3-(dimethoxymethyl)-1-methylcyclohexene (PubChem CID 24977288) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-(dimethoxymethyl)-1-methylcyclohexene.

Molecular Properties

Compound Name3-(dimethoxymethyl)-1-methylcyclohexene
PubChem CID24977288
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-(dimethoxymethyl)-1-methylcyclohexene
SMILESCOC(OC)C1C=C(C)CCC1
InChIInChI=1S/C10H18O2/c1-8-5-4-6-9(7-8)10(11-2)12-3/h7,9-10H,4-6H2,1-3H3
InChIKeyMWWZNXHBLHFQCV-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethyl)-1-methylcyclohexene?
The IUPAC name of 3-(dimethoxymethyl)-1-methylcyclohexene (CID 24977288) is 3-(dimethoxymethyl)-1-methylcyclohexene.
What is the SMILES notation for 3-(dimethoxymethyl)-1-methylcyclohexene?
The canonical SMILES for 3-(dimethoxymethyl)-1-methylcyclohexene is COC(OC)C1C=C(C)CCC1.
What is the InChIKey of 3-(dimethoxymethyl)-1-methylcyclohexene?
The InChIKey is MWWZNXHBLHFQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-5-4-6-9(7-8)10(11-2)12-3/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 3-(dimethoxymethyl)-1-methylcyclohexene?
3-(dimethoxymethyl)-1-methylcyclohexene has a molecular weight of 170.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)-1-methylcyclohexene is sourced from PubChem (CID 24977288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).