(3R)-3-(3-cyclohexylprop-1-ynyl)cyclohexene

C15H22 — CID 138979060

IUPAC(3R)-3-(3-cyclohexylprop-1-ynyl)cyclohexene
SMILESC(#C[C@H]1C=CCCC1)CC1CCCCC1
InChIInChI=1S/C15H22/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h3,8,14-15H,1-2,4-6,9-11,13H2/t14-/m0/s1
InChIKeyVRUUAFNCWDXLLW-AWEZNQCLSA-N
MW202.34 g/mol
LogP4.32
Rot. Bonds1

About (3R)-3-(3-cyclohexylprop-1-ynyl)cyclohexene

(3R)-3-(3-cyclohexylprop-1-ynyl)cyclohexene (PubChem CID 138979060) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is (3R)-3-(3-cyclohexylprop-1-ynyl)cyclohexene.

Molecular Properties

Compound Name(3R)-3-(3-cyclohexylprop-1-ynyl)cyclohexene
PubChem CID138979060
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name(3R)-3-(3-cyclohexylprop-1-ynyl)cyclohexene
SMILESC(#C[C@H]1C=CCCC1)CC1CCCCC1
InChIInChI=1S/C15H22/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h3,8,14-15H,1-2,4-6,9-11,13H2/t14-/m0/s1
InChIKeyVRUUAFNCWDXLLW-AWEZNQCLSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-cyclohexylprop-1-ynyl)cyclohexene?
The IUPAC name of (3R)-3-(3-cyclohexylprop-1-ynyl)cyclohexene (CID 138979060) is (3R)-3-(3-cyclohexylprop-1-ynyl)cyclohexene.
What is the SMILES notation for (3R)-3-(3-cyclohexylprop-1-ynyl)cyclohexene?
The canonical SMILES for (3R)-3-(3-cyclohexylprop-1-ynyl)cyclohexene is C(#C[C@H]1C=CCCC1)CC1CCCCC1.
What is the InChIKey of (3R)-3-(3-cyclohexylprop-1-ynyl)cyclohexene?
The InChIKey is VRUUAFNCWDXLLW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h3,8,14-15H,1-2,4-6,9-11,13H2/t14-/m0/s1.
What are the key properties of (3R)-3-(3-cyclohexylprop-1-ynyl)cyclohexene?
(3R)-3-(3-cyclohexylprop-1-ynyl)cyclohexene has a molecular weight of 202.34 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-cyclohexylprop-1-ynyl)cyclohexene is sourced from PubChem (CID 138979060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).