1,3-dimethoxy-2-methylcyclohexane

C9H18O2 — CID 547135

IUPAC1,3-dimethoxy-2-methylcyclohexane
SMILESCOC1CCCC(OC)C1C
InChIInChI=1S/C9H18O2/c1-7-8(10-2)5-4-6-9(7)11-3/h7-9H,4-6H2,1-3H3
InChIKeySENNQJBJSVMAKH-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.84
Rot. Bonds2

About 1,3-dimethoxy-2-methylcyclohexane

1,3-dimethoxy-2-methylcyclohexane (PubChem CID 547135) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1,3-dimethoxy-2-methylcyclohexane.

Molecular Properties

Compound Name1,3-dimethoxy-2-methylcyclohexane
PubChem CID547135
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1,3-dimethoxy-2-methylcyclohexane
SMILESCOC1CCCC(OC)C1C
InChIInChI=1S/C9H18O2/c1-7-8(10-2)5-4-6-9(7)11-3/h7-9H,4-6H2,1-3H3
InChIKeySENNQJBJSVMAKH-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-methylcyclohexane?
The IUPAC name of 1,3-dimethoxy-2-methylcyclohexane (CID 547135) is 1,3-dimethoxy-2-methylcyclohexane.
What is the SMILES notation for 1,3-dimethoxy-2-methylcyclohexane?
The canonical SMILES for 1,3-dimethoxy-2-methylcyclohexane is COC1CCCC(OC)C1C.
What is the InChIKey of 1,3-dimethoxy-2-methylcyclohexane?
The InChIKey is SENNQJBJSVMAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-7-8(10-2)5-4-6-9(7)11-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1,3-dimethoxy-2-methylcyclohexane?
1,3-dimethoxy-2-methylcyclohexane has a molecular weight of 158.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-methylcyclohexane is sourced from PubChem (CID 547135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).