(3S,5S)-3-cyclohexyl-3,5-dimethylcyclohexene

C14H24 — CID 162832197

IUPAC(3S,5S)-3-cyclohexyl-3,5-dimethylcyclohexene
SMILESC[C@H]1CC=C[C@](C)(C2CCCCC2)C1
InChIInChI=1S/C14H24/c1-12-7-6-10-14(2,11-12)13-8-4-3-5-9-13/h6,10,12-13H,3-5,7-9,11H2,1-2H3/t12-,14-/m0/s1
InChIKeyRGJVNFKSTVKQSA-JSGCOSHPSA-N
MW192.35 g/mol
LogP4.56
Rot. Bonds1

About (3S,5S)-3-cyclohexyl-3,5-dimethylcyclohexene

(3S,5S)-3-cyclohexyl-3,5-dimethylcyclohexene (PubChem CID 162832197) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is (3S,5S)-3-cyclohexyl-3,5-dimethylcyclohexene.

Molecular Properties

Compound Name(3S,5S)-3-cyclohexyl-3,5-dimethylcyclohexene
PubChem CID162832197
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name(3S,5S)-3-cyclohexyl-3,5-dimethylcyclohexene
SMILESC[C@H]1CC=C[C@](C)(C2CCCCC2)C1
InChIInChI=1S/C14H24/c1-12-7-6-10-14(2,11-12)13-8-4-3-5-9-13/h6,10,12-13H,3-5,7-9,11H2,1-2H3/t12-,14-/m0/s1
InChIKeyRGJVNFKSTVKQSA-JSGCOSHPSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-cyclohexyl-3,5-dimethylcyclohexene?
The IUPAC name of (3S,5S)-3-cyclohexyl-3,5-dimethylcyclohexene (CID 162832197) is (3S,5S)-3-cyclohexyl-3,5-dimethylcyclohexene.
What is the SMILES notation for (3S,5S)-3-cyclohexyl-3,5-dimethylcyclohexene?
The canonical SMILES for (3S,5S)-3-cyclohexyl-3,5-dimethylcyclohexene is C[C@H]1CC=C[C@](C)(C2CCCCC2)C1.
What is the InChIKey of (3S,5S)-3-cyclohexyl-3,5-dimethylcyclohexene?
The InChIKey is RGJVNFKSTVKQSA-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H24/c1-12-7-6-10-14(2,11-12)13-8-4-3-5-9-13/h6,10,12-13H,3-5,7-9,11H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (3S,5S)-3-cyclohexyl-3,5-dimethylcyclohexene?
(3S,5S)-3-cyclohexyl-3,5-dimethylcyclohexene has a molecular weight of 192.35 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-cyclohexyl-3,5-dimethylcyclohexene is sourced from PubChem (CID 162832197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).