(E)-8-hydroxy-4,4-dimethyloct-6-en-2-one

C10H18O2 — CID 162414214

IUPAC(E)-8-hydroxy-4,4-dimethyloct-6-en-2-one
SMILESCC(=O)CC(C)(C)C/C=C/CO
InChIInChI=1S/C10H18O2/c1-9(12)8-10(2,3)6-4-5-7-11/h4-5,11H,6-8H2,1-3H3/b5-4+
InChIKeyDHTBVRRLMRSNGU-SNAWJCMRSA-N
MW170.25 g/mol
LogP1.93
Rot. Bonds5

About (E)-8-hydroxy-4,4-dimethyloct-6-en-2-one

(E)-8-hydroxy-4,4-dimethyloct-6-en-2-one (PubChem CID 162414214) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-8-hydroxy-4,4-dimethyloct-6-en-2-one.

Molecular Properties

Compound Name(E)-8-hydroxy-4,4-dimethyloct-6-en-2-one
PubChem CID162414214
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-8-hydroxy-4,4-dimethyloct-6-en-2-one
SMILESCC(=O)CC(C)(C)C/C=C/CO
InChIInChI=1S/C10H18O2/c1-9(12)8-10(2,3)6-4-5-7-11/h4-5,11H,6-8H2,1-3H3/b5-4+
InChIKeyDHTBVRRLMRSNGU-SNAWJCMRSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-8-hydroxy-4,4-dimethyloct-6-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-8-hydroxy-4,4-dimethyloct-6-en-2-one?
The IUPAC name of (E)-8-hydroxy-4,4-dimethyloct-6-en-2-one (CID 162414214) is (E)-8-hydroxy-4,4-dimethyloct-6-en-2-one.
What is the SMILES notation for (E)-8-hydroxy-4,4-dimethyloct-6-en-2-one?
The canonical SMILES for (E)-8-hydroxy-4,4-dimethyloct-6-en-2-one is CC(=O)CC(C)(C)C/C=C/CO.
What is the InChIKey of (E)-8-hydroxy-4,4-dimethyloct-6-en-2-one?
The InChIKey is DHTBVRRLMRSNGU-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(12)8-10(2,3)6-4-5-7-11/h4-5,11H,6-8H2,1-3H3/b5-4+.
What are the key properties of (E)-8-hydroxy-4,4-dimethyloct-6-en-2-one?
(E)-8-hydroxy-4,4-dimethyloct-6-en-2-one has a molecular weight of 170.25 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-hydroxy-4,4-dimethyloct-6-en-2-one is sourced from PubChem (CID 162414214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).