(3S,4R,5R)-5-methoxy-1,3,4-trimethylcyclohexene

C10H18O — CID 59954411

IUPAC(3S,4R,5R)-5-methoxy-1,3,4-trimethylcyclohexene
SMILESCO[C@@H]1CC(C)=C[C@H](C)[C@H]1C
InChIInChI=1S/C10H18O/c1-7-5-8(2)9(3)10(6-7)11-4/h5,8-10H,6H2,1-4H3/t8-,9+,10+/m0/s1
InChIKeyWTOIKWLPBCSGFW-IVZWLZJFSA-N
MW154.25 g/mol
LogP2.62
Rot. Bonds1

About (3S,4R,5R)-5-methoxy-1,3,4-trimethylcyclohexene

(3S,4R,5R)-5-methoxy-1,3,4-trimethylcyclohexene (PubChem CID 59954411) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (3S,4R,5R)-5-methoxy-1,3,4-trimethylcyclohexene.

Molecular Properties

Compound Name(3S,4R,5R)-5-methoxy-1,3,4-trimethylcyclohexene
PubChem CID59954411
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(3S,4R,5R)-5-methoxy-1,3,4-trimethylcyclohexene
SMILESCO[C@@H]1CC(C)=C[C@H](C)[C@H]1C
InChIInChI=1S/C10H18O/c1-7-5-8(2)9(3)10(6-7)11-4/h5,8-10H,6H2,1-4H3/t8-,9+,10+/m0/s1
InChIKeyWTOIKWLPBCSGFW-IVZWLZJFSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-1,3-dimethylcyclopentene
CID 174381720
1,3,4,5-tetramethylcyclohexene
CID 12751050
(1R,5R,6R)-3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
CID 76966126
(1R,5R,6S)-3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
CID 76966124
1-(3,5,6-trimethylcyclohex-3-en-1-yl)propan-1-one
CID 174793746
1,3,4-trimethyl-5-methylsulfinylcyclohexene
CID 20651669
(3S)-1,3-dimethylcyclobutene
CID 58737300
6-methoxycarbonyl-2,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 2867460
1-(3,5,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one
CID 71327435
5-fluoro-1,3,4-trimethylcycloheptene
CID 146579921
(3R,4R,5S)-5-azido-3-methoxy-1,4-dimethylcyclohexene
CID 140651662
(1R,2S,3S)-3,5-dimethylcyclohex-4-ene-1,2-dicarboxylic acid
CID 7071592

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-5-methoxy-1,3,4-trimethylcyclohexene?
The IUPAC name of (3S,4R,5R)-5-methoxy-1,3,4-trimethylcyclohexene (CID 59954411) is (3S,4R,5R)-5-methoxy-1,3,4-trimethylcyclohexene.
What is the SMILES notation for (3S,4R,5R)-5-methoxy-1,3,4-trimethylcyclohexene?
The canonical SMILES for (3S,4R,5R)-5-methoxy-1,3,4-trimethylcyclohexene is CO[C@@H]1CC(C)=C[C@H](C)[C@H]1C.
What is the InChIKey of (3S,4R,5R)-5-methoxy-1,3,4-trimethylcyclohexene?
The InChIKey is WTOIKWLPBCSGFW-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H18O/c1-7-5-8(2)9(3)10(6-7)11-4/h5,8-10H,6H2,1-4H3/t8-,9+,10+/m0/s1.
What are the key properties of (3S,4R,5R)-5-methoxy-1,3,4-trimethylcyclohexene?
(3S,4R,5R)-5-methoxy-1,3,4-trimethylcyclohexene has a molecular weight of 154.25 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-5-methoxy-1,3,4-trimethylcyclohexene is sourced from PubChem (CID 59954411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).