(3R)-3-cyclohexylcycloheptene

C13H22 — CID 72711475

IUPAC(3R)-3-cyclohexylcycloheptene
SMILESC1=C[C@@H](C2CCCCC2)CCCC1
InChIInChI=1S/C13H22/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-13/h4,8,12-13H,1-3,5-7,9-11H2/t12-/m1/s1
InChIKeySNZXDTZXCPQUAF-GFCCVEGCSA-N
MW178.32 g/mol
LogP4.31
Rot. Bonds1

About (3R)-3-cyclohexylcycloheptene

(3R)-3-cyclohexylcycloheptene (PubChem CID 72711475) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (3R)-3-cyclohexylcycloheptene.

Molecular Properties

Compound Name(3R)-3-cyclohexylcycloheptene
PubChem CID72711475
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(3R)-3-cyclohexylcycloheptene
SMILESC1=C[C@@H](C2CCCCC2)CCCC1
InChIInChI=1S/C13H22/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-13/h4,8,12-13H,1-3,5-7,9-11H2/t12-/m1/s1
InChIKeySNZXDTZXCPQUAF-GFCCVEGCSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.31
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 (3R)-3-cyclohexylcycloheptene?
The IUPAC name of (3R)-3-cyclohexylcycloheptene (CID 72711475) is (3R)-3-cyclohexylcycloheptene.
What is the SMILES notation for (3R)-3-cyclohexylcycloheptene?
The canonical SMILES for (3R)-3-cyclohexylcycloheptene is C1=C[C@@H](C2CCCCC2)CCCC1.
What is the InChIKey of (3R)-3-cyclohexylcycloheptene?
The InChIKey is SNZXDTZXCPQUAF-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-13/h4,8,12-13H,1-3,5-7,9-11H2/t12-/m1/s1.
What are the key properties of (3R)-3-cyclohexylcycloheptene?
(3R)-3-cyclohexylcycloheptene has a molecular weight of 178.32 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclohexylcycloheptene is sourced from PubChem (CID 72711475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).