2-methoxy-1,3-dimethylcyclohexane

C9H18O — CID 14979249

IUPAC2-methoxy-1,3-dimethylcyclohexane
SMILESCOC1C(C)CCCC1C
InChIInChI=1S/C9H18O/c1-7-5-4-6-8(2)9(7)10-3/h7-9H,4-6H2,1-3H3
InChIKeyJKTBUYFIXYRTFU-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds1

About 2-methoxy-1,3-dimethylcyclohexane

2-methoxy-1,3-dimethylcyclohexane (PubChem CID 14979249) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-methoxy-1,3-dimethylcyclohexane.

Molecular Properties

Compound Name2-methoxy-1,3-dimethylcyclohexane
PubChem CID14979249
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-methoxy-1,3-dimethylcyclohexane
SMILESCOC1C(C)CCCC1C
InChIInChI=1S/C9H18O/c1-7-5-4-6-8(2)9(7)10-3/h7-9H,4-6H2,1-3H3
InChIKeyJKTBUYFIXYRTFU-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Menthyl methyl ether, (-)-
CID 228343
2,6-Dimethylcyclohexanol
CID 21428
2-Ethoxy-1,3-dimethylcyclohexane
CID 101096771
2,4-Dimethylcyclohexan-1-ol
CID 98251
1-Menthyl methyl ether
CID 102648
1-Methoxy-4-methylcyclohexane
CID 6336264
1-Methoxy-2-methylcyclohexane
CID 12546406
Cyclohexane, (1-methoxyethyl)-
CID 106834
2,4,6-Trimethylcyclohexan-1-ol
CID 74001
Methoxymethylcyclohexane
CID 6432218
cis1Methoxy 2methyl cyclohexane
CID 11137184
1-Methoxy-3-pentylcyclohexane
CID 101551563

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3-dimethylcyclohexane?
The IUPAC name of 2-methoxy-1,3-dimethylcyclohexane (CID 14979249) is 2-methoxy-1,3-dimethylcyclohexane.
What is the SMILES notation for 2-methoxy-1,3-dimethylcyclohexane?
The canonical SMILES for 2-methoxy-1,3-dimethylcyclohexane is COC1C(C)CCCC1C.
What is the InChIKey of 2-methoxy-1,3-dimethylcyclohexane?
The InChIKey is JKTBUYFIXYRTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-7-5-4-6-8(2)9(7)10-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-methoxy-1,3-dimethylcyclohexane?
2-methoxy-1,3-dimethylcyclohexane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3-dimethylcyclohexane is sourced from PubChem (CID 14979249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).