(Z)-1,5-dicyclopentyl-4-hydroxy-3-methylpent-3-en-2-one

C16H26O2 — CID 170237935

IUPAC(Z)-1,5-dicyclopentyl-4-hydroxy-3-methylpent-3-en-2-one
SMILESC/C(C(=O)CC1CCCC1)=C(/O)CC1CCCC1
InChIInChI=1S/C16H26O2/c1-12(15(17)10-13-6-2-3-7-13)16(18)11-14-8-4-5-9-14/h13-14,17H,2-11H2,1H3/b15-12-
InChIKeyNIMDLPDLDSAEBB-QINSGFPZSA-N
MW250.38 g/mol
LogP4.55
Rot. Bonds5

About (Z)-1,5-dicyclopentyl-4-hydroxy-3-methylpent-3-en-2-one

(Z)-1,5-dicyclopentyl-4-hydroxy-3-methylpent-3-en-2-one (PubChem CID 170237935) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (Z)-1,5-dicyclopentyl-4-hydroxy-3-methylpent-3-en-2-one.

Molecular Properties

Compound Name(Z)-1,5-dicyclopentyl-4-hydroxy-3-methylpent-3-en-2-one
PubChem CID170237935
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(Z)-1,5-dicyclopentyl-4-hydroxy-3-methylpent-3-en-2-one
SMILESC/C(C(=O)CC1CCCC1)=C(/O)CC1CCCC1
InChIInChI=1S/C16H26O2/c1-12(15(17)10-13-6-2-3-7-13)16(18)11-14-8-4-5-9-14/h13-14,17H,2-11H2,1H3/b15-12-
InChIKeyNIMDLPDLDSAEBB-QINSGFPZSA-N
XLogP4.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.55
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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Related Compounds

3-cyclohexyl-2-oxopropanoic acid
CID 160850076
1-cyclohexadecylpropan-2-one
CID 175123721
2-cyclohexylacetic acid;ethane;methanamine
CID 176577797
azane;2-cyclohexylacetic acid;iron
CID 67746719
potassium;2-cyclohexylacetic acid;hydride
CID 174261063
acetic acid;cyclohexylmethanethiol
CID 57346586
(2R)-5-cyclopentyl-2-ethyl-3-imino-4-oxopentanoic acid
CID 174734579
1-cyclopentyl-3-hydroxybutan-2-one
CID 103451317
2-cyclohexylacetic acid;sulfuric acid
CID 174433718
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
2-cyclodecylacetamide
CID 150110792
3-cyclopentyl-2-oxopropanal
CID 154198194

Frequently Asked Questions

What is the IUPAC name of (Z)-1,5-dicyclopentyl-4-hydroxy-3-methylpent-3-en-2-one?
The IUPAC name of (Z)-1,5-dicyclopentyl-4-hydroxy-3-methylpent-3-en-2-one (CID 170237935) is (Z)-1,5-dicyclopentyl-4-hydroxy-3-methylpent-3-en-2-one.
What is the SMILES notation for (Z)-1,5-dicyclopentyl-4-hydroxy-3-methylpent-3-en-2-one?
The canonical SMILES for (Z)-1,5-dicyclopentyl-4-hydroxy-3-methylpent-3-en-2-one is C/C(C(=O)CC1CCCC1)=C(/O)CC1CCCC1.
What is the InChIKey of (Z)-1,5-dicyclopentyl-4-hydroxy-3-methylpent-3-en-2-one?
The InChIKey is NIMDLPDLDSAEBB-QINSGFPZSA-N. The full InChI is InChI=1S/C16H26O2/c1-12(15(17)10-13-6-2-3-7-13)16(18)11-14-8-4-5-9-14/h13-14,17H,2-11H2,1H3/b15-12-.
What are the key properties of (Z)-1,5-dicyclopentyl-4-hydroxy-3-methylpent-3-en-2-one?
(Z)-1,5-dicyclopentyl-4-hydroxy-3-methylpent-3-en-2-one has a molecular weight of 250.38 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,5-dicyclopentyl-4-hydroxy-3-methylpent-3-en-2-one is sourced from PubChem (CID 170237935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).