(4R)-4-hydroxy-3,3-dimethyl-5-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-one

C15H26O2 — CID 7057526

IUPAC(4R)-4-hydroxy-3,3-dimethyl-5-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-one
SMILESCC(=O)C(C)(C)[C@H](O)C[C@H]1CC=C(C)C1(C)C
InChIInChI=1S/C15H26O2/c1-10-7-8-12(14(10,3)4)9-13(17)15(5,6)11(2)16/h7,12-13,17H,8-9H2,1-6H3/t12-,13-/m1/s1
InChIKeyONECILGFBWGHTE-CHWSQXEVSA-N
MW238.37 g/mol
LogP3.35
Rot. Bonds4

About (4R)-4-hydroxy-3,3-dimethyl-5-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-one

(4R)-4-hydroxy-3,3-dimethyl-5-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-one (PubChem CID 7057526) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (4R)-4-hydroxy-3,3-dimethyl-5-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-3,3-dimethyl-5-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-one
PubChem CID7057526
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(4R)-4-hydroxy-3,3-dimethyl-5-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-one
SMILESCC(=O)C(C)(C)[C@H](O)C[C@H]1CC=C(C)C1(C)C
InChIInChI=1S/C15H26O2/c1-10-7-8-12(14(10,3)4)9-13(17)15(5,6)11(2)16/h7,12-13,17H,8-9H2,1-6H3/t12-,13-/m1/s1
InChIKeyONECILGFBWGHTE-CHWSQXEVSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.35
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 (4R)-4-hydroxy-3,3-dimethyl-5-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-one?
The IUPAC name of (4R)-4-hydroxy-3,3-dimethyl-5-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-one (CID 7057526) is (4R)-4-hydroxy-3,3-dimethyl-5-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-one.
What is the SMILES notation for (4R)-4-hydroxy-3,3-dimethyl-5-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-one?
The canonical SMILES for (4R)-4-hydroxy-3,3-dimethyl-5-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-one is CC(=O)C(C)(C)[C@H](O)C[C@H]1CC=C(C)C1(C)C.
What is the InChIKey of (4R)-4-hydroxy-3,3-dimethyl-5-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-one?
The InChIKey is ONECILGFBWGHTE-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-7-8-12(14(10,3)4)9-13(17)15(5,6)11(2)16/h7,12-13,17H,8-9H2,1-6H3/t12-,13-/m1/s1.
What are the key properties of (4R)-4-hydroxy-3,3-dimethyl-5-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-one?
(4R)-4-hydroxy-3,3-dimethyl-5-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-one has a molecular weight of 238.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-3,3-dimethyl-5-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-one is sourced from PubChem (CID 7057526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).