5-ethenyl-2-hydroxy-5-methyl-2-propan-2-yl-6-prop-1-en-2-ylcyclohexan-1-one

C15H24O2 — CID 162987528

IUPAC5-ethenyl-2-hydroxy-5-methyl-2-propan-2-yl-6-prop-1-en-2-ylcyclohexan-1-one
SMILESC=CC1(C)CCC(O)(C(C)C)C(=O)C1C(=C)C
InChIInChI=1S/C15H24O2/c1-7-14(6)8-9-15(17,11(4)5)13(16)12(14)10(2)3/h7,11-12,17H,1-2,8-9H2,3-6H3
InChIKeyGHIYLRZGQOFLNM-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.12
Rot. Bonds3

About 5-ethenyl-2-hydroxy-5-methyl-2-propan-2-yl-6-prop-1-en-2-ylcyclohexan-1-one

5-ethenyl-2-hydroxy-5-methyl-2-propan-2-yl-6-prop-1-en-2-ylcyclohexan-1-one (PubChem CID 162987528) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 5-ethenyl-2-hydroxy-5-methyl-2-propan-2-yl-6-prop-1-en-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name5-ethenyl-2-hydroxy-5-methyl-2-propan-2-yl-6-prop-1-en-2-ylcyclohexan-1-one
PubChem CID162987528
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name5-ethenyl-2-hydroxy-5-methyl-2-propan-2-yl-6-prop-1-en-2-ylcyclohexan-1-one
SMILESC=CC1(C)CCC(O)(C(C)C)C(=O)C1C(=C)C
InChIInChI=1S/C15H24O2/c1-7-14(6)8-9-15(17,11(4)5)13(16)12(14)10(2)3/h7,11-12,17H,1-2,8-9H2,3-6H3
InChIKeyGHIYLRZGQOFLNM-UHFFFAOYSA-N
XLogP3.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-ethenyl-2-hydroxy-5-methyl-2-propan-2-yl-6-prop-1-en-2-ylcyclohexan-1-one?
The IUPAC name of 5-ethenyl-2-hydroxy-5-methyl-2-propan-2-yl-6-prop-1-en-2-ylcyclohexan-1-one (CID 162987528) is 5-ethenyl-2-hydroxy-5-methyl-2-propan-2-yl-6-prop-1-en-2-ylcyclohexan-1-one.
What is the SMILES notation for 5-ethenyl-2-hydroxy-5-methyl-2-propan-2-yl-6-prop-1-en-2-ylcyclohexan-1-one?
The canonical SMILES for 5-ethenyl-2-hydroxy-5-methyl-2-propan-2-yl-6-prop-1-en-2-ylcyclohexan-1-one is C=CC1(C)CCC(O)(C(C)C)C(=O)C1C(=C)C.
What is the InChIKey of 5-ethenyl-2-hydroxy-5-methyl-2-propan-2-yl-6-prop-1-en-2-ylcyclohexan-1-one?
The InChIKey is GHIYLRZGQOFLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-7-14(6)8-9-15(17,11(4)5)13(16)12(14)10(2)3/h7,11-12,17H,1-2,8-9H2,3-6H3.
What are the key properties of 5-ethenyl-2-hydroxy-5-methyl-2-propan-2-yl-6-prop-1-en-2-ylcyclohexan-1-one?
5-ethenyl-2-hydroxy-5-methyl-2-propan-2-yl-6-prop-1-en-2-ylcyclohexan-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-hydroxy-5-methyl-2-propan-2-yl-6-prop-1-en-2-ylcyclohexan-1-one is sourced from PubChem (CID 162987528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).