[(1S,2R)-2-prop-2-enylcyclohexyl]benzene

C15H20 — CID 101198941

IUPAC[(1S,2R)-2-prop-2-enylcyclohexyl]benzene
SMILESC=CC[C@H]1CCCC[C@@H]1c1ccccc1
InChIInChI=1S/C15H20/c1-2-8-13-11-6-7-12-15(13)14-9-4-3-5-10-14/h2-5,9-10,13,15H,1,6-8,11-12H2/t13-,15-/m0/s1
InChIKeyHEXPJBCQHLGDEA-ZFWWWQNUSA-N
MW200.33 g/mol
LogP4.54
Rot. Bonds3

About [(1S,2R)-2-prop-2-enylcyclohexyl]benzene

[(1S,2R)-2-prop-2-enylcyclohexyl]benzene (PubChem CID 101198941) has the molecular formula C15H20 and a molecular weight of 200.33 g/mol. Its IUPAC name is [(1S,2R)-2-prop-2-enylcyclohexyl]benzene.

Molecular Properties

Compound Name[(1S,2R)-2-prop-2-enylcyclohexyl]benzene
PubChem CID101198941
Molecular FormulaC15H20
Molecular Weight200.33 g/mol
Exact Mass200.16
IUPAC Name[(1S,2R)-2-prop-2-enylcyclohexyl]benzene
SMILESC=CC[C@H]1CCCC[C@@H]1c1ccccc1
InChIInChI=1S/C15H20/c1-2-8-13-11-6-7-12-15(13)14-9-4-3-5-10-14/h2-5,9-10,13,15H,1,6-8,11-12H2/t13-,15-/m0/s1
InChIKeyHEXPJBCQHLGDEA-ZFWWWQNUSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 54.54
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 [(1S,2R)-2-prop-2-enylcyclohexyl]benzene?
The IUPAC name of [(1S,2R)-2-prop-2-enylcyclohexyl]benzene (CID 101198941) is [(1S,2R)-2-prop-2-enylcyclohexyl]benzene.
What is the SMILES notation for [(1S,2R)-2-prop-2-enylcyclohexyl]benzene?
The canonical SMILES for [(1S,2R)-2-prop-2-enylcyclohexyl]benzene is C=CC[C@H]1CCCC[C@@H]1c1ccccc1.
What is the InChIKey of [(1S,2R)-2-prop-2-enylcyclohexyl]benzene?
The InChIKey is HEXPJBCQHLGDEA-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H20/c1-2-8-13-11-6-7-12-15(13)14-9-4-3-5-10-14/h2-5,9-10,13,15H,1,6-8,11-12H2/t13-,15-/m0/s1.
What are the key properties of [(1S,2R)-2-prop-2-enylcyclohexyl]benzene?
[(1S,2R)-2-prop-2-enylcyclohexyl]benzene has a molecular weight of 200.33 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-prop-2-enylcyclohexyl]benzene is sourced from PubChem (CID 101198941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).