(Z)-6-hydroxy-3,5,7-trimethyloct-5-en-4-one

C11H20O2 — CID 167210415

IUPAC(Z)-6-hydroxy-3,5,7-trimethyloct-5-en-4-one
SMILESCCC(C)C(=O)/C(C)=C(\O)C(C)C
InChIInChI=1S/C11H20O2/c1-6-8(4)11(13)9(5)10(12)7(2)3/h7-8,12H,6H2,1-5H3/b10-9-
InChIKeyNDEUTBCUVPMGDY-KTKRTIGZSA-N
MW184.28 g/mol
LogP3.09
Rot. Bonds4

About (Z)-6-hydroxy-3,5,7-trimethyloct-5-en-4-one

(Z)-6-hydroxy-3,5,7-trimethyloct-5-en-4-one (PubChem CID 167210415) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (Z)-6-hydroxy-3,5,7-trimethyloct-5-en-4-one.

Molecular Properties

Compound Name(Z)-6-hydroxy-3,5,7-trimethyloct-5-en-4-one
PubChem CID167210415
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(Z)-6-hydroxy-3,5,7-trimethyloct-5-en-4-one
SMILESCCC(C)C(=O)/C(C)=C(\O)C(C)C
InChIInChI=1S/C11H20O2/c1-6-8(4)11(13)9(5)10(12)7(2)3/h7-8,12H,6H2,1-5H3/b10-9-
InChIKeyNDEUTBCUVPMGDY-KTKRTIGZSA-N
XLogP3.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-6-hydroxy-3,5,7-trimethyloct-5-en-4-one with MolForge

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

Launch Full Analysis

Related Compounds

calcium 3-methyl-2-oxopentanoic acid
CID 42613103
3-methylbutan-2-one;3-methylpentan-2-one
CID 159429251
(E)-2,3,4-trimethylhex-2-enoic acid
CID 22726174
methane;(2S)-2-methylbutanoic acid
CID 159302978
ethane;2-methylbutanoic acid
CID 87621166
iron;2-methylbutanoic acid
CID 175205801
bis(2-methylbutanoic acid);nickel
CID 170549792
CID 88513173
CID 88513173
acetic acid;2-methylbutane
CID 172862544
3-methyloctane-4,5-dione
CID 18177714
(2Z,4Z)-2,5-di(butan-2-yl)hexa-2,4-dienedioic acid
CID 87065606
3-hydroxy-N,2,4-trimethylpent-2-enamide
CID 141458418

Frequently Asked Questions

What is the IUPAC name of (Z)-6-hydroxy-3,5,7-trimethyloct-5-en-4-one?
The IUPAC name of (Z)-6-hydroxy-3,5,7-trimethyloct-5-en-4-one (CID 167210415) is (Z)-6-hydroxy-3,5,7-trimethyloct-5-en-4-one.
What is the SMILES notation for (Z)-6-hydroxy-3,5,7-trimethyloct-5-en-4-one?
The canonical SMILES for (Z)-6-hydroxy-3,5,7-trimethyloct-5-en-4-one is CCC(C)C(=O)/C(C)=C(\O)C(C)C.
What is the InChIKey of (Z)-6-hydroxy-3,5,7-trimethyloct-5-en-4-one?
The InChIKey is NDEUTBCUVPMGDY-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H20O2/c1-6-8(4)11(13)9(5)10(12)7(2)3/h7-8,12H,6H2,1-5H3/b10-9-.
What are the key properties of (Z)-6-hydroxy-3,5,7-trimethyloct-5-en-4-one?
(Z)-6-hydroxy-3,5,7-trimethyloct-5-en-4-one has a molecular weight of 184.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-hydroxy-3,5,7-trimethyloct-5-en-4-one is sourced from PubChem (CID 167210415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).