(E)-2-hydroxy-2-methylundec-5-en-3-one

C12H22O2 — CID 5365333

IUPAC(E)-2-hydroxy-2-methylundec-5-en-3-one
SMILESCCCCC/C=C/CC(=O)C(C)(C)O
InChIInChI=1S/C12H22O2/c1-4-5-6-7-8-9-10-11(13)12(2,3)14/h8-9,14H,4-7,10H2,1-3H3/b9-8+
InChIKeyIEPOSWGSWGPRJU-CMDGGOBGSA-N
MW198.31 g/mol
LogP2.85
Rot. Bonds7

About (E)-2-hydroxy-2-methylundec-5-en-3-one

(E)-2-hydroxy-2-methylundec-5-en-3-one (PubChem CID 5365333) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (E)-2-hydroxy-2-methylundec-5-en-3-one.

Molecular Properties

Compound Name(E)-2-hydroxy-2-methylundec-5-en-3-one
PubChem CID5365333
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(E)-2-hydroxy-2-methylundec-5-en-3-one
SMILESCCCCC/C=C/CC(=O)C(C)(C)O
InChIInChI=1S/C12H22O2/c1-4-5-6-7-8-9-10-11(13)12(2,3)14/h8-9,14H,4-7,10H2,1-3H3/b9-8+
InChIKeyIEPOSWGSWGPRJU-CMDGGOBGSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-hydroxy-2-methylundec-5-en-3-one?
The IUPAC name of (E)-2-hydroxy-2-methylundec-5-en-3-one (CID 5365333) is (E)-2-hydroxy-2-methylundec-5-en-3-one.
What is the SMILES notation for (E)-2-hydroxy-2-methylundec-5-en-3-one?
The canonical SMILES for (E)-2-hydroxy-2-methylundec-5-en-3-one is CCCCC/C=C/CC(=O)C(C)(C)O.
What is the InChIKey of (E)-2-hydroxy-2-methylundec-5-en-3-one?
The InChIKey is IEPOSWGSWGPRJU-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-5-6-7-8-9-10-11(13)12(2,3)14/h8-9,14H,4-7,10H2,1-3H3/b9-8+.
What are the key properties of (E)-2-hydroxy-2-methylundec-5-en-3-one?
(E)-2-hydroxy-2-methylundec-5-en-3-one has a molecular weight of 198.31 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-hydroxy-2-methylundec-5-en-3-one is sourced from PubChem (CID 5365333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).