[(1S,2R)-5,5-dimethyl-2-prop-2-enylcyclohexyl]benzene

C17H24 — CID 173403307

IUPAC[(1S,2R)-5,5-dimethyl-2-prop-2-enylcyclohexyl]benzene
SMILESC=CC[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H24/c1-4-8-14-11-12-17(2,3)13-16(14)15-9-6-5-7-10-15/h4-7,9-10,14,16H,1,8,11-13H2,2-3H3/t14-,16-/m0/s1
InChIKeyCGZSJZKCFIQIJF-HOCLYGCPSA-N
MW228.38 g/mol
LogP5.17
Rot. Bonds3

About [(1S,2R)-5,5-dimethyl-2-prop-2-enylcyclohexyl]benzene

[(1S,2R)-5,5-dimethyl-2-prop-2-enylcyclohexyl]benzene (PubChem CID 173403307) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is [(1S,2R)-5,5-dimethyl-2-prop-2-enylcyclohexyl]benzene.

Molecular Properties

Compound Name[(1S,2R)-5,5-dimethyl-2-prop-2-enylcyclohexyl]benzene
PubChem CID173403307
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name[(1S,2R)-5,5-dimethyl-2-prop-2-enylcyclohexyl]benzene
SMILESC=CC[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H24/c1-4-8-14-11-12-17(2,3)13-16(14)15-9-6-5-7-10-15/h4-7,9-10,14,16H,1,8,11-13H2,2-3H3/t14-,16-/m0/s1
InChIKeyCGZSJZKCFIQIJF-HOCLYGCPSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.17
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)-5,5-dimethyl-2-prop-2-enylcyclohexyl]benzene?
The IUPAC name of [(1S,2R)-5,5-dimethyl-2-prop-2-enylcyclohexyl]benzene (CID 173403307) is [(1S,2R)-5,5-dimethyl-2-prop-2-enylcyclohexyl]benzene.
What is the SMILES notation for [(1S,2R)-5,5-dimethyl-2-prop-2-enylcyclohexyl]benzene?
The canonical SMILES for [(1S,2R)-5,5-dimethyl-2-prop-2-enylcyclohexyl]benzene is C=CC[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1.
What is the InChIKey of [(1S,2R)-5,5-dimethyl-2-prop-2-enylcyclohexyl]benzene?
The InChIKey is CGZSJZKCFIQIJF-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H24/c1-4-8-14-11-12-17(2,3)13-16(14)15-9-6-5-7-10-15/h4-7,9-10,14,16H,1,8,11-13H2,2-3H3/t14-,16-/m0/s1.
What are the key properties of [(1S,2R)-5,5-dimethyl-2-prop-2-enylcyclohexyl]benzene?
[(1S,2R)-5,5-dimethyl-2-prop-2-enylcyclohexyl]benzene has a molecular weight of 228.38 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-5,5-dimethyl-2-prop-2-enylcyclohexyl]benzene is sourced from PubChem (CID 173403307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).