(5R)-3,4-dimethoxy-1,5-dimethylcyclohexene

C10H18O2 — CID 59918332

IUPAC(5R)-3,4-dimethoxy-1,5-dimethylcyclohexene
SMILESCOC1C=C(C)C[C@@H](C)C1OC
InChIInChI=1S/C10H18O2/c1-7-5-8(2)10(12-4)9(6-7)11-3/h6,8-10H,5H2,1-4H3/t8-,9?,10?/m1/s1
InChIKeyWOMHNNDMIFWRDM-XNWIYYODSA-N
MW170.25 g/mol
LogP2.00
Rot. Bonds2

About (5R)-3,4-dimethoxy-1,5-dimethylcyclohexene

(5R)-3,4-dimethoxy-1,5-dimethylcyclohexene (PubChem CID 59918332) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (5R)-3,4-dimethoxy-1,5-dimethylcyclohexene.

Molecular Properties

Compound Name(5R)-3,4-dimethoxy-1,5-dimethylcyclohexene
PubChem CID59918332
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(5R)-3,4-dimethoxy-1,5-dimethylcyclohexene
SMILESCOC1C=C(C)C[C@@H](C)C1OC
InChIInChI=1S/C10H18O2/c1-7-5-8(2)10(12-4)9(6-7)11-3/h6,8-10H,5H2,1-4H3/t8-,9?,10?/m1/s1
InChIKeyWOMHNNDMIFWRDM-XNWIYYODSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R)-3,4-dimethoxy-1,5-dimethylcyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Rose oxide
CID 27866
Rose oxide, cis-(-)-
CID 1712087
Rose oxide, trans-(-)-
CID 7093102
Rose oxide, cis-(+)-
CID 6432154
2H-Pyran, 5,6-dihydro-4-methyl-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990785
Methyl piperitol
CID 12284330
Rose oxide, trans-(+)-
CID 1712086
cis-3-Ethoxy-p-menth-1-ene
CID 85842332
(7R)-7-isopropenyl-4-methyl-1-oxaspiro[2.5]oct-4-ene
CID 24848739
6-Methoxy-1-methyl-4-propan-2-ylcyclohexene
CID 564572
Lanceoloxide
CID 91749733
3-Methoxy-1,5,5-trimethylcyclohexene
CID 12233157

Frequently Asked Questions

What is the IUPAC name of (5R)-3,4-dimethoxy-1,5-dimethylcyclohexene?
The IUPAC name of (5R)-3,4-dimethoxy-1,5-dimethylcyclohexene (CID 59918332) is (5R)-3,4-dimethoxy-1,5-dimethylcyclohexene.
What is the SMILES notation for (5R)-3,4-dimethoxy-1,5-dimethylcyclohexene?
The canonical SMILES for (5R)-3,4-dimethoxy-1,5-dimethylcyclohexene is COC1C=C(C)C[C@@H](C)C1OC.
What is the InChIKey of (5R)-3,4-dimethoxy-1,5-dimethylcyclohexene?
The InChIKey is WOMHNNDMIFWRDM-XNWIYYODSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-5-8(2)10(12-4)9(6-7)11-3/h6,8-10H,5H2,1-4H3/t8-,9?,10?/m1/s1.
What are the key properties of (5R)-3,4-dimethoxy-1,5-dimethylcyclohexene?
(5R)-3,4-dimethoxy-1,5-dimethylcyclohexene has a molecular weight of 170.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,4-dimethoxy-1,5-dimethylcyclohexene is sourced from PubChem (CID 59918332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).