(4S)-1,4-dimethoxy-4-methylcyclohexene

C9H16O2 — CID 173489967

IUPAC(4S)-1,4-dimethoxy-4-methylcyclohexene
SMILESCOC1=CC[C@@](C)(OC)CC1
InChIInChI=1S/C9H16O2/c1-9(11-3)6-4-8(10-2)5-7-9/h4H,5-7H2,1-3H3/t9-/m1/s1
InChIKeySSZKZLHVXCXMIM-SECBINFHSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds2

About (4S)-1,4-dimethoxy-4-methylcyclohexene

(4S)-1,4-dimethoxy-4-methylcyclohexene (PubChem CID 173489967) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (4S)-1,4-dimethoxy-4-methylcyclohexene.

Molecular Properties

Compound Name(4S)-1,4-dimethoxy-4-methylcyclohexene
PubChem CID173489967
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(4S)-1,4-dimethoxy-4-methylcyclohexene
SMILESCOC1=CC[C@@](C)(OC)CC1
InChIInChI=1S/C9H16O2/c1-9(11-3)6-4-8(10-2)5-7-9/h4H,5-7H2,1-3H3/t9-/m1/s1
InChIKeySSZKZLHVXCXMIM-SECBINFHSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-1,4-dimethoxy-4-methylcyclohexene?
The IUPAC name of (4S)-1,4-dimethoxy-4-methylcyclohexene (CID 173489967) is (4S)-1,4-dimethoxy-4-methylcyclohexene.
What is the SMILES notation for (4S)-1,4-dimethoxy-4-methylcyclohexene?
The canonical SMILES for (4S)-1,4-dimethoxy-4-methylcyclohexene is COC1=CC[C@@](C)(OC)CC1.
What is the InChIKey of (4S)-1,4-dimethoxy-4-methylcyclohexene?
The InChIKey is SSZKZLHVXCXMIM-SECBINFHSA-N. The full InChI is InChI=1S/C9H16O2/c1-9(11-3)6-4-8(10-2)5-7-9/h4H,5-7H2,1-3H3/t9-/m1/s1.
What are the key properties of (4S)-1,4-dimethoxy-4-methylcyclohexene?
(4S)-1,4-dimethoxy-4-methylcyclohexene has a molecular weight of 156.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,4-dimethoxy-4-methylcyclohexene is sourced from PubChem (CID 173489967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).