cis-(1R,4S)-1,4-dimethyl-2-methylidenecyclohexane

C9H16 — CID 91694386

IUPACcis-(1R,4S)-1,4-dimethyl-2-methylidenecyclohexane
SMILESC=C1C[C@@H](C)CC[C@H]1C
InChIInChI=1S/C9H16/c1-7-4-5-8(2)9(3)6-7/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyWFDLHRVMODABGC-JGVFFNPUSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds

About cis-(1R,4S)-1,4-dimethyl-2-methylidenecyclohexane

cis-(1R,4S)-1,4-dimethyl-2-methylidenecyclohexane (PubChem CID 91694386) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is cis-(1R,4S)-1,4-dimethyl-2-methylidenecyclohexane.

Molecular Properties

Compound Namecis-(1R,4S)-1,4-dimethyl-2-methylidenecyclohexane
PubChem CID91694386
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Namecis-(1R,4S)-1,4-dimethyl-2-methylidenecyclohexane
SMILESC=C1C[C@@H](C)CC[C@H]1C
InChIInChI=1S/C9H16/c1-7-4-5-8(2)9(3)6-7/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyWFDLHRVMODABGC-JGVFFNPUSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cis-(1R,4S)-1,4-dimethyl-2-methylidenecyclohexane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,4S)-1,4-dimethyl-2-methylidenecyclohexane?
The IUPAC name of cis-(1R,4S)-1,4-dimethyl-2-methylidenecyclohexane (CID 91694386) is cis-(1R,4S)-1,4-dimethyl-2-methylidenecyclohexane.
What is the SMILES notation for cis-(1R,4S)-1,4-dimethyl-2-methylidenecyclohexane?
The canonical SMILES for cis-(1R,4S)-1,4-dimethyl-2-methylidenecyclohexane is C=C1C[C@@H](C)CC[C@H]1C.
What is the InChIKey of cis-(1R,4S)-1,4-dimethyl-2-methylidenecyclohexane?
The InChIKey is WFDLHRVMODABGC-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16/c1-7-4-5-8(2)9(3)6-7/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of cis-(1R,4S)-1,4-dimethyl-2-methylidenecyclohexane?
cis-(1R,4S)-1,4-dimethyl-2-methylidenecyclohexane has a molecular weight of 124.23 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,4S)-1,4-dimethyl-2-methylidenecyclohexane is sourced from PubChem (CID 91694386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).