(E)-5-hydroxy-6-methyldec-3-en-2-one

C11H20O2 — CID 87292051

IUPAC(E)-5-hydroxy-6-methyldec-3-en-2-one
SMILESCCCCC(C)C(O)/C=C/C(C)=O
InChIInChI=1S/C11H20O2/c1-4-5-6-9(2)11(13)8-7-10(3)12/h7-9,11,13H,4-6H2,1-3H3/b8-7+
InChIKeyGPHOGNIATKZXQM-BQYQJAHWSA-N
MW184.28 g/mol
LogP2.32
Rot. Bonds6

About (E)-5-hydroxy-6-methyldec-3-en-2-one

(E)-5-hydroxy-6-methyldec-3-en-2-one (PubChem CID 87292051) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-5-hydroxy-6-methyldec-3-en-2-one.

Molecular Properties

Compound Name(E)-5-hydroxy-6-methyldec-3-en-2-one
PubChem CID87292051
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-5-hydroxy-6-methyldec-3-en-2-one
SMILESCCCCC(C)C(O)/C=C/C(C)=O
InChIInChI=1S/C11H20O2/c1-4-5-6-9(2)11(13)8-7-10(3)12/h7-9,11,13H,4-6H2,1-3H3/b8-7+
InChIKeyGPHOGNIATKZXQM-BQYQJAHWSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-5-methoxy-6-methyldec-3-en-2-one
CID 87291566
5-methoxy-6-methyldec-3-en-2-one
CID 91554031
tributyl(3-oxobut-1-enyl)phosphanium
CID 88771980
2-methylheptane;propan-2-ol;propan-2-one
CID 175261137
(3S,4S)-3-hydroxy-4-methyloctanoic acid
CID 70788967
ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid
CID 142967684
(Z,5R)-5-hydroxyhex-3-en-2-one
CID 59975420
5-hydroxyhept-3-en-2-one
CID 74046190
2-methylnonadecane;propan-2-one
CID 141405407
(1-hydroxy-2-methylhexyl) 3-methylbut-2-enoate
CID 141323242
(E)-6-hydroxy-5-methyloct-3-en-2-one
CID 21022275
(2S)-2-(methylamino)-N-[(E,3S)-2-methyl-6-oxohept-4-en-3-yl]heptanamide
CID 59163724

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-6-methyldec-3-en-2-one?
The IUPAC name of (E)-5-hydroxy-6-methyldec-3-en-2-one (CID 87292051) is (E)-5-hydroxy-6-methyldec-3-en-2-one.
What is the SMILES notation for (E)-5-hydroxy-6-methyldec-3-en-2-one?
The canonical SMILES for (E)-5-hydroxy-6-methyldec-3-en-2-one is CCCCC(C)C(O)/C=C/C(C)=O.
What is the InChIKey of (E)-5-hydroxy-6-methyldec-3-en-2-one?
The InChIKey is GPHOGNIATKZXQM-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-6-9(2)11(13)8-7-10(3)12/h7-9,11,13H,4-6H2,1-3H3/b8-7+.
What are the key properties of (E)-5-hydroxy-6-methyldec-3-en-2-one?
(E)-5-hydroxy-6-methyldec-3-en-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-6-methyldec-3-en-2-one is sourced from PubChem (CID 87292051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).