cis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one

C15H24O2 — CID 53381704

IUPACcis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one
SMILESC=CCC[C@@H](CO)[C@H]1CCC(=O)[C@]1(C)CC=C
InChIInChI=1S/C15H24O2/c1-4-6-7-12(11-16)13-8-9-14(17)15(13,3)10-5-2/h4-5,12-13,16H,1-2,6-11H2,3H3/t12-,13+,15+/m0/s1
InChIKeyYOHRYCSQVHPZFC-GZBFAFLISA-N
MW236.35 g/mol
LogP3.12
Rot. Bonds7

About cis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one

cis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one (PubChem CID 53381704) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is cis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one
PubChem CID53381704
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Namecis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one
SMILESC=CCC[C@@H](CO)[C@H]1CCC(=O)[C@]1(C)CC=C
InChIInChI=1S/C15H24O2/c1-4-6-7-12(11-16)13-8-9-14(17)15(13,3)10-5-2/h4-5,12-13,16H,1-2,6-11H2,3H3/t12-,13+,15+/m0/s1
InChIKeyYOHRYCSQVHPZFC-GZBFAFLISA-N
XLogP3.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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'}

Analyze cis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one with MolForge

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Related Compounds

cis-(2S,3S)-2-methyl-3-propan-2-yl-2-prop-2-enylcyclopentan-1-one
CID 11171336
cis-(2R,3R)-2-but-3-enyl-2-methyl-3-propan-2-ylcyclopentan-1-one
CID 11424115
trans-(2R,3S)-3-hydroxy-2-methyl-2-prop-2-enylcyclohexan-1-one
CID 11229012
2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one
CID 85299271
trans-(2S,3R)-3-hydroxy-2-methyl-2-prop-2-enylcyclohexan-1-one
CID 10725788
2-(1-methyl-2-oxo-5-propan-2-ylcyclopentyl)acetaldehyde
CID 86213229
(3aR,7S,7aS)-7-hydroxy-7a-prop-2-enyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one
CID 11008821
2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one
CID 45098397
2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one
CID 101389500
cis-(2R,3R)-2-hydroxy-3-methyl-2-prop-2-enylcyclohexan-1-one
CID 14470980
(1S,6R)-7-methyl-7-prop-2-enylbicyclo[4.1.0]heptan-2-one
CID 134924832
(1R)-1-cyclopropylpent-4-en-1-ol
CID 96581912

Frequently Asked Questions

What is the IUPAC name of cis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one?
The IUPAC name of cis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one (CID 53381704) is cis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for cis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one?
The canonical SMILES for cis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one is C=CCC[C@@H](CO)[C@H]1CCC(=O)[C@]1(C)CC=C.
What is the InChIKey of cis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one?
The InChIKey is YOHRYCSQVHPZFC-GZBFAFLISA-N. The full InChI is InChI=1S/C15H24O2/c1-4-6-7-12(11-16)13-8-9-14(17)15(13,3)10-5-2/h4-5,12-13,16H,1-2,6-11H2,3H3/t12-,13+,15+/m0/s1.
What are the key properties of cis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one?
cis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 53381704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).