5-hydroxy-4,5-dimethylhex-3-en-2-one

C8H14O2 — CID 91550756

IUPAC5-hydroxy-4,5-dimethylhex-3-en-2-one
SMILESCC(=O)C=C(C)C(C)(C)O
InChIInChI=1S/C8H14O2/c1-6(5-7(2)9)8(3,4)10/h5,10H,1-4H3
InChIKeyUHRHEHLIMVKNTC-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.29
Rot. Bonds2

About 5-hydroxy-4,5-dimethylhex-3-en-2-one

5-hydroxy-4,5-dimethylhex-3-en-2-one (PubChem CID 91550756) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-hydroxy-4,5-dimethylhex-3-en-2-one.

Molecular Properties

Compound Name5-hydroxy-4,5-dimethylhex-3-en-2-one
PubChem CID91550756
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name5-hydroxy-4,5-dimethylhex-3-en-2-one
SMILESCC(=O)C=C(C)C(C)(C)O
InChIInChI=1S/C8H14O2/c1-6(5-7(2)9)8(3,4)10/h5,10H,1-4H3
InChIKeyUHRHEHLIMVKNTC-UHFFFAOYSA-N
XLogP1.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.29
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-fluoro-4,5-dimethylhex-3-en-2-one
CID 12601610
(E)-5-hydroxy-4,5-dimethyloct-3-en-2-one
CID 87291753
5-methoxy-4,5-dimethylhex-3-en-2-one
CID 91074265
(Z)-2,3-dimethylpent-3-en-2-ol
CID 173496054
(3E)-5-fluoro-4,5-dimethylhepta-3,6-dien-2-one
CID 163639005
(Z)-4-amino-5,5-dimethylhex-3-en-2-one
CID 15421497
(E)-hex-3-ene-2,5-dione
CID 5363639
tetrakis((Z)-4-hydroxypent-3-en-2-one);bis(2-methylpropan-2-amine);nickel
CID 11490766
(Z)-4,6,6-trimethylhept-3-en-2-one
CID 12636167
pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
4-(dimethylamino)-5,5-dimethylhex-3-en-2-one
CID 23268138
2-methylpropan-2-ol;propan-2-one;hydrate
CID 86602953

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,5-dimethylhex-3-en-2-one?
The IUPAC name of 5-hydroxy-4,5-dimethylhex-3-en-2-one (CID 91550756) is 5-hydroxy-4,5-dimethylhex-3-en-2-one.
What is the SMILES notation for 5-hydroxy-4,5-dimethylhex-3-en-2-one?
The canonical SMILES for 5-hydroxy-4,5-dimethylhex-3-en-2-one is CC(=O)C=C(C)C(C)(C)O.
What is the InChIKey of 5-hydroxy-4,5-dimethylhex-3-en-2-one?
The InChIKey is UHRHEHLIMVKNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(5-7(2)9)8(3,4)10/h5,10H,1-4H3.
What are the key properties of 5-hydroxy-4,5-dimethylhex-3-en-2-one?
5-hydroxy-4,5-dimethylhex-3-en-2-one has a molecular weight of 142.20 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,5-dimethylhex-3-en-2-one is sourced from PubChem (CID 91550756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).