(3R)-1-cyclohexylidene-3-methylcyclohexane

C13H22 — CID 163915369

IUPAC(3R)-1-cyclohexylidene-3-methylcyclohexane
SMILESC[C@@H]1CCCC(=C2CCCCC2)C1
InChIInChI=1S/C13H22/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h11H,2-10H2,1H3/t11-/m1/s1
InChIKeyQVUCNWCKNVENMJ-LLVKDONJSA-N
MW178.32 g/mol
LogP4.46
Rot. Bonds

About (3R)-1-cyclohexylidene-3-methylcyclohexane

(3R)-1-cyclohexylidene-3-methylcyclohexane (PubChem CID 163915369) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (3R)-1-cyclohexylidene-3-methylcyclohexane.

Molecular Properties

Compound Name(3R)-1-cyclohexylidene-3-methylcyclohexane
PubChem CID163915369
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(3R)-1-cyclohexylidene-3-methylcyclohexane
SMILESC[C@@H]1CCCC(=C2CCCCC2)C1
InChIInChI=1S/C13H22/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h11H,2-10H2,1H3/t11-/m1/s1
InChIKeyQVUCNWCKNVENMJ-LLVKDONJSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

p-Menth-4(8)-ene
CID 517975
m-Menth-3(8)-ene
CID 518828
Cyclohexane, (2-methyl-1-propenyl)-
CID 549098
trans-(1S,2S)-1,2-diethyl-4-propan-2-ylidenecyclohexane
CID 162882634
1,2,3-Trimethylcyclohex-1-ene
CID 12537123
(1Z)-1-ethylidene-2-methylcyclohexane
CID 13028908
(1E)-1-ethylidene-2-methylcyclohexane
CID 13028907
(2Z)-1-methyl-2-propylidenecyclohexane
CID 21719228
Cyclohexane, (2-ethyl-1-methylbutylidene)-
CID 565721
1-Ethylidene-4-methylcyclohexane
CID 11073416
(Cyclohexylmethylene)cyclohexane
CID 12714143
[(Z)-2-methylbut-1-enyl]cyclohexane
CID 13355382

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclohexylidene-3-methylcyclohexane?
The IUPAC name of (3R)-1-cyclohexylidene-3-methylcyclohexane (CID 163915369) is (3R)-1-cyclohexylidene-3-methylcyclohexane.
What is the SMILES notation for (3R)-1-cyclohexylidene-3-methylcyclohexane?
The canonical SMILES for (3R)-1-cyclohexylidene-3-methylcyclohexane is C[C@@H]1CCCC(=C2CCCCC2)C1.
What is the InChIKey of (3R)-1-cyclohexylidene-3-methylcyclohexane?
The InChIKey is QVUCNWCKNVENMJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h11H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-cyclohexylidene-3-methylcyclohexane?
(3R)-1-cyclohexylidene-3-methylcyclohexane has a molecular weight of 178.32 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclohexylidene-3-methylcyclohexane is sourced from PubChem (CID 163915369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).