(2R)-2-hydroxy-2-[(3S)-pent-1-en-3-yl]cyclohexan-1-one

C11H18O2 — CID 102505763

IUPAC(2R)-2-hydroxy-2-[(3S)-pent-1-en-3-yl]cyclohexan-1-one
SMILESC=C[C@H](CC)[C@]1(O)CCCCC1=O
InChIInChI=1S/C11H18O2/c1-3-9(4-2)11(13)8-6-5-7-10(11)12/h3,9,13H,1,4-8H2,2H3/t9-,11-/m1/s1
InChIKeyVMZIVQOTMCYOMX-MWLCHTKSSA-N
MW182.26 g/mol
LogP2.07
Rot. Bonds3

About (2R)-2-hydroxy-2-[(3S)-pent-1-en-3-yl]cyclohexan-1-one

(2R)-2-hydroxy-2-[(3S)-pent-1-en-3-yl]cyclohexan-1-one (PubChem CID 102505763) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[(3S)-pent-1-en-3-yl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[(3S)-pent-1-en-3-yl]cyclohexan-1-one
PubChem CID102505763
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2R)-2-hydroxy-2-[(3S)-pent-1-en-3-yl]cyclohexan-1-one
SMILESC=C[C@H](CC)[C@]1(O)CCCCC1=O
InChIInChI=1S/C11H18O2/c1-3-9(4-2)11(13)8-6-5-7-10(11)12/h3,9,13H,1,4-8H2,2H3/t9-,11-/m1/s1
InChIKeyVMZIVQOTMCYOMX-MWLCHTKSSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.07
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 (2R)-2-hydroxy-2-[(3S)-pent-1-en-3-yl]cyclohexan-1-one?
The IUPAC name of (2R)-2-hydroxy-2-[(3S)-pent-1-en-3-yl]cyclohexan-1-one (CID 102505763) is (2R)-2-hydroxy-2-[(3S)-pent-1-en-3-yl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-2-[(3S)-pent-1-en-3-yl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-hydroxy-2-[(3S)-pent-1-en-3-yl]cyclohexan-1-one is C=C[C@H](CC)[C@]1(O)CCCCC1=O.
What is the InChIKey of (2R)-2-hydroxy-2-[(3S)-pent-1-en-3-yl]cyclohexan-1-one?
The InChIKey is VMZIVQOTMCYOMX-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-9(4-2)11(13)8-6-5-7-10(11)12/h3,9,13H,1,4-8H2,2H3/t9-,11-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-[(3S)-pent-1-en-3-yl]cyclohexan-1-one?
(2R)-2-hydroxy-2-[(3S)-pent-1-en-3-yl]cyclohexan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[(3S)-pent-1-en-3-yl]cyclohexan-1-one is sourced from PubChem (CID 102505763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).