(3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene

C12H18 — CID 95564793

IUPAC(3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene
SMILESC1=C[C@@H]([C@H]2C=CCCC2)CCC1
InChIInChI=1S/C12H18/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3,5,7,9,11-12H,1-2,4,6,8,10H2/t11-,12+
InChIKeyHFROTUORNFZKSE-TXEJJXNPSA-N
MW162.28 g/mol
LogP3.70
Rot. Bonds1

About (3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene

(3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene (PubChem CID 95564793) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene.

Molecular Properties

Compound Name(3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene
PubChem CID95564793
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene
SMILESC1=C[C@@H]([C@H]2C=CCCC2)CCC1
InChIInChI=1S/C12H18/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3,5,7,9,11-12H,1-2,4,6,8,10H2/t11-,12+
InChIKeyHFROTUORNFZKSE-TXEJJXNPSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.70
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)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene?
The IUPAC name of (3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene (CID 95564793) is (3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene.
What is the SMILES notation for (3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene?
The canonical SMILES for (3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene is C1=C[C@@H]([C@H]2C=CCCC2)CCC1.
What is the InChIKey of (3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene?
The InChIKey is HFROTUORNFZKSE-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H18/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3,5,7,9,11-12H,1-2,4,6,8,10H2/t11-,12+.
What are the key properties of (3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene?
(3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene has a molecular weight of 162.28 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene is sourced from PubChem (CID 95564793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).