1-methoxy-4-methylcyclohexene

C8H14O — CID 12567616

IUPAC1-methoxy-4-methylcyclohexene
SMILESCOC1=CCC(C)CC1
InChIInChI=1S/C8H14O/c1-7-3-5-8(9-2)6-4-7/h5,7H,3-4,6H2,1-2H3
InChIKeyUIZJMGJALWBCRF-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.34
Rot. Bonds1

About 1-methoxy-4-methylcyclohexene

1-methoxy-4-methylcyclohexene (PubChem CID 12567616) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-methoxy-4-methylcyclohexene.

Molecular Properties

Compound Name1-methoxy-4-methylcyclohexene
PubChem CID12567616
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-methoxy-4-methylcyclohexene
SMILESCOC1=CCC(C)CC1
InChIInChI=1S/C8H14O/c1-7-3-5-8(9-2)6-4-7/h5,7H,3-4,6H2,1-2H3
InChIKeyUIZJMGJALWBCRF-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methylcyclohexene?
The IUPAC name of 1-methoxy-4-methylcyclohexene (CID 12567616) is 1-methoxy-4-methylcyclohexene.
What is the SMILES notation for 1-methoxy-4-methylcyclohexene?
The canonical SMILES for 1-methoxy-4-methylcyclohexene is COC1=CCC(C)CC1.
What is the InChIKey of 1-methoxy-4-methylcyclohexene?
The InChIKey is UIZJMGJALWBCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7-3-5-8(9-2)6-4-7/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 1-methoxy-4-methylcyclohexene?
1-methoxy-4-methylcyclohexene has a molecular weight of 126.20 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methylcyclohexene is sourced from PubChem (CID 12567616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).