(4E)-10-hydroxy-4,10-dimethyldodeca-4,11-dien-2-one

C14H24O2 — CID 6441887

IUPAC(4E)-10-hydroxy-4,10-dimethyldodeca-4,11-dien-2-one
SMILESC=CC(C)(O)CCCC/C=C(\C)CC(C)=O
InChIInChI=1S/C14H24O2/c1-5-14(4,16)10-8-6-7-9-12(2)11-13(3)15/h5,9,16H,1,6-8,10-11H2,2-4H3/b12-9+
InChIKeyAPPMNDGEMXRQPR-FMIVXFBMSA-N
MW224.34 g/mol
LogP3.41
Rot. Bonds8

About (4E)-10-hydroxy-4,10-dimethyldodeca-4,11-dien-2-one

(4E)-10-hydroxy-4,10-dimethyldodeca-4,11-dien-2-one (PubChem CID 6441887) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (4E)-10-hydroxy-4,10-dimethyldodeca-4,11-dien-2-one.

Molecular Properties

Compound Name(4E)-10-hydroxy-4,10-dimethyldodeca-4,11-dien-2-one
PubChem CID6441887
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(4E)-10-hydroxy-4,10-dimethyldodeca-4,11-dien-2-one
SMILESC=CC(C)(O)CCCC/C=C(\C)CC(C)=O
InChIInChI=1S/C14H24O2/c1-5-14(4,16)10-8-6-7-9-12(2)11-13(3)15/h5,9,16H,1,6-8,10-11H2,2-4H3/b12-9+
InChIKeyAPPMNDGEMXRQPR-FMIVXFBMSA-N
XLogP3.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.41
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 (4E)-10-hydroxy-4,10-dimethyldodeca-4,11-dien-2-one?
The IUPAC name of (4E)-10-hydroxy-4,10-dimethyldodeca-4,11-dien-2-one (CID 6441887) is (4E)-10-hydroxy-4,10-dimethyldodeca-4,11-dien-2-one.
What is the SMILES notation for (4E)-10-hydroxy-4,10-dimethyldodeca-4,11-dien-2-one?
The canonical SMILES for (4E)-10-hydroxy-4,10-dimethyldodeca-4,11-dien-2-one is C=CC(C)(O)CCCC/C=C(\C)CC(C)=O.
What is the InChIKey of (4E)-10-hydroxy-4,10-dimethyldodeca-4,11-dien-2-one?
The InChIKey is APPMNDGEMXRQPR-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-14(4,16)10-8-6-7-9-12(2)11-13(3)15/h5,9,16H,1,6-8,10-11H2,2-4H3/b12-9+.
What are the key properties of (4E)-10-hydroxy-4,10-dimethyldodeca-4,11-dien-2-one?
(4E)-10-hydroxy-4,10-dimethyldodeca-4,11-dien-2-one has a molecular weight of 224.34 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-10-hydroxy-4,10-dimethyldodeca-4,11-dien-2-one is sourced from PubChem (CID 6441887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).