(6S)-1-methoxy-4,6-dimethylcyclohexene

C9H16O — CID 143012915

IUPAC(6S)-1-methoxy-4,6-dimethylcyclohexene
SMILESCOC1=CCC(C)C[C@@H]1C
InChIInChI=1S/C9H16O/c1-7-4-5-9(10-3)8(2)6-7/h5,7-8H,4,6H2,1-3H3/t7?,8-/m0/s1
InChIKeyQSHAYLARPVTXSN-MQWKRIRWSA-N
MW140.23 g/mol
LogP2.58
Rot. Bonds1

About (6S)-1-methoxy-4,6-dimethylcyclohexene

(6S)-1-methoxy-4,6-dimethylcyclohexene (PubChem CID 143012915) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (6S)-1-methoxy-4,6-dimethylcyclohexene.

Molecular Properties

Compound Name(6S)-1-methoxy-4,6-dimethylcyclohexene
PubChem CID143012915
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(6S)-1-methoxy-4,6-dimethylcyclohexene
SMILESCOC1=CCC(C)C[C@@H]1C
InChIInChI=1S/C9H16O/c1-7-4-5-9(10-3)8(2)6-7/h5,7-8H,4,6H2,1-3H3/t7?,8-/m0/s1
InChIKeyQSHAYLARPVTXSN-MQWKRIRWSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-methoxy-4,6-dimethylcyclohexene?
The IUPAC name of (6S)-1-methoxy-4,6-dimethylcyclohexene (CID 143012915) is (6S)-1-methoxy-4,6-dimethylcyclohexene.
What is the SMILES notation for (6S)-1-methoxy-4,6-dimethylcyclohexene?
The canonical SMILES for (6S)-1-methoxy-4,6-dimethylcyclohexene is COC1=CCC(C)C[C@@H]1C.
What is the InChIKey of (6S)-1-methoxy-4,6-dimethylcyclohexene?
The InChIKey is QSHAYLARPVTXSN-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H16O/c1-7-4-5-9(10-3)8(2)6-7/h5,7-8H,4,6H2,1-3H3/t7?,8-/m0/s1.
What are the key properties of (6S)-1-methoxy-4,6-dimethylcyclohexene?
(6S)-1-methoxy-4,6-dimethylcyclohexene has a molecular weight of 140.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-methoxy-4,6-dimethylcyclohexene is sourced from PubChem (CID 143012915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).