1-methoxy-4-methylcyclohexane

C8H16O — CID 6336264

IUPAC1-methoxy-4-methylcyclohexane
SMILESCOC1CCC(C)CC1
InChIInChI=1S/C8H16O/c1-7-3-5-8(9-2)6-4-7/h7-8H,3-6H2,1-2H3
InChIKeyVBAPYXHNMYKBKN-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.21
Rot. Bonds1

About 1-methoxy-4-methylcyclohexane

1-methoxy-4-methylcyclohexane (PubChem CID 6336264) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 1-methoxy-4-methylcyclohexane.

Molecular Properties

Compound Name1-methoxy-4-methylcyclohexane
PubChem CID6336264
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name1-methoxy-4-methylcyclohexane
SMILESCOC1CCC(C)CC1
InChIInChI=1S/C8H16O/c1-7-3-5-8(9-2)6-4-7/h7-8H,3-6H2,1-2H3
InChIKeyVBAPYXHNMYKBKN-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methylcyclohexane?
The IUPAC name of 1-methoxy-4-methylcyclohexane (CID 6336264) is 1-methoxy-4-methylcyclohexane.
What is the SMILES notation for 1-methoxy-4-methylcyclohexane?
The canonical SMILES for 1-methoxy-4-methylcyclohexane is COC1CCC(C)CC1.
What is the InChIKey of 1-methoxy-4-methylcyclohexane?
The InChIKey is VBAPYXHNMYKBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-7-3-5-8(9-2)6-4-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-methoxy-4-methylcyclohexane?
1-methoxy-4-methylcyclohexane has a molecular weight of 128.21 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methylcyclohexane is sourced from PubChem (CID 6336264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).