(Z)-3-hydroxy-4,4-dimethyl-1-(1-phenylcyclopentyl)pent-2-en-1-one

C18H24O2 — CID 140592879

IUPAC(Z)-3-hydroxy-4,4-dimethyl-1-(1-phenylcyclopentyl)pent-2-en-1-one
SMILESCC(C)(C)/C(O)=C/C(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H24O2/c1-17(2,3)15(19)13-16(20)18(11-7-8-12-18)14-9-5-4-6-10-14/h4-6,9-10,13,19H,7-8,11-12H2,1-3H3/b15-13-
InChIKeyKOGCUDCTMYLCED-SQFISAMPSA-N
MW272.39 g/mol
LogP4.56
Rot. Bonds3

About (Z)-3-hydroxy-4,4-dimethyl-1-(1-phenylcyclopentyl)pent-2-en-1-one

(Z)-3-hydroxy-4,4-dimethyl-1-(1-phenylcyclopentyl)pent-2-en-1-one (PubChem CID 140592879) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is (Z)-3-hydroxy-4,4-dimethyl-1-(1-phenylcyclopentyl)pent-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-hydroxy-4,4-dimethyl-1-(1-phenylcyclopentyl)pent-2-en-1-one
PubChem CID140592879
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name(Z)-3-hydroxy-4,4-dimethyl-1-(1-phenylcyclopentyl)pent-2-en-1-one
SMILESCC(C)(C)/C(O)=C/C(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H24O2/c1-17(2,3)15(19)13-16(20)18(11-7-8-12-18)14-9-5-4-6-10-14/h4-6,9-10,13,19H,7-8,11-12H2,1-3H3/b15-13-
InChIKeyKOGCUDCTMYLCED-SQFISAMPSA-N
XLogP4.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-4,4-dimethyl-1-(1-phenylcyclopentyl)pent-2-en-1-one?
The IUPAC name of (Z)-3-hydroxy-4,4-dimethyl-1-(1-phenylcyclopentyl)pent-2-en-1-one (CID 140592879) is (Z)-3-hydroxy-4,4-dimethyl-1-(1-phenylcyclopentyl)pent-2-en-1-one.
What is the SMILES notation for (Z)-3-hydroxy-4,4-dimethyl-1-(1-phenylcyclopentyl)pent-2-en-1-one?
The canonical SMILES for (Z)-3-hydroxy-4,4-dimethyl-1-(1-phenylcyclopentyl)pent-2-en-1-one is CC(C)(C)/C(O)=C/C(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of (Z)-3-hydroxy-4,4-dimethyl-1-(1-phenylcyclopentyl)pent-2-en-1-one?
The InChIKey is KOGCUDCTMYLCED-SQFISAMPSA-N. The full InChI is InChI=1S/C18H24O2/c1-17(2,3)15(19)13-16(20)18(11-7-8-12-18)14-9-5-4-6-10-14/h4-6,9-10,13,19H,7-8,11-12H2,1-3H3/b15-13-.
What are the key properties of (Z)-3-hydroxy-4,4-dimethyl-1-(1-phenylcyclopentyl)pent-2-en-1-one?
(Z)-3-hydroxy-4,4-dimethyl-1-(1-phenylcyclopentyl)pent-2-en-1-one has a molecular weight of 272.39 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-4,4-dimethyl-1-(1-phenylcyclopentyl)pent-2-en-1-one is sourced from PubChem (CID 140592879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).