(Z,3R,6R)-3-hydroxy-6,8-dimethylnon-4-enoic acid

C11H20O3 — CID 125475724

IUPAC(Z,3R,6R)-3-hydroxy-6,8-dimethylnon-4-enoic acid
SMILESCC(C)C[C@@H](C)/C=C\[C@H](O)CC(=O)O
InChIInChI=1S/C11H20O3/c1-8(2)6-9(3)4-5-10(12)7-11(13)14/h4-5,8-10,12H,6-7H2,1-3H3,(H,13,14)/b5-4-/t9-,10-/m0/s1
InChIKeyDRIDGDNQAAHGIM-NDVXOHMPSA-N
MW200.28 g/mol
LogP2.06
Rot. Bonds6

About (Z,3R,6R)-3-hydroxy-6,8-dimethylnon-4-enoic acid

(Z,3R,6R)-3-hydroxy-6,8-dimethylnon-4-enoic acid (PubChem CID 125475724) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (Z,3R,6R)-3-hydroxy-6,8-dimethylnon-4-enoic acid.

Molecular Properties

Compound Name(Z,3R,6R)-3-hydroxy-6,8-dimethylnon-4-enoic acid
PubChem CID125475724
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(Z,3R,6R)-3-hydroxy-6,8-dimethylnon-4-enoic acid
SMILESCC(C)C[C@@H](C)/C=C\[C@H](O)CC(=O)O
InChIInChI=1S/C11H20O3/c1-8(2)6-9(3)4-5-10(12)7-11(13)14/h4-5,8-10,12H,6-7H2,1-3H3,(H,13,14)/b5-4-/t9-,10-/m0/s1
InChIKeyDRIDGDNQAAHGIM-NDVXOHMPSA-N
XLogP2.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,3R,6R)-3-hydroxy-6,8-dimethylnon-4-enoic acid 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

trans-3-Hydroxyhex-4-enoic acid
CID 12740487
Striatisporin A
CID 11357243
(4E,6E)-3-hydroxydeca-4,6-dienoate
CID 91972206
Gliomacid B
CID 139590656
Graphostromol J
CID 146682842
(E,3S,6S)-6-ethyl-3-hydroxy-3,7-dimethyloct-4-enoic acid
CID 162954907
(+)-2-hydroxymethyl-6-methyl-6(S)hydroxy-2-trans-2,7-octadienoic acid
CID 162979508
3-Hydroxy-4-hexenoic acid, ethyl ester
CID 5462990
2-Hydroxycyclohex-3-ene-1-carboxylic acid
CID 14090861
3-Hydroxy-4-octenoic acid
CID 14359735
Ethyl 2-ethyl-3-hydroxypent-4-enoate
CID 18539688
ss-Propenylhydracrylsaure
CID 54147029

Frequently Asked Questions

What is the IUPAC name of (Z,3R,6R)-3-hydroxy-6,8-dimethylnon-4-enoic acid?
The IUPAC name of (Z,3R,6R)-3-hydroxy-6,8-dimethylnon-4-enoic acid (CID 125475724) is (Z,3R,6R)-3-hydroxy-6,8-dimethylnon-4-enoic acid.
What is the SMILES notation for (Z,3R,6R)-3-hydroxy-6,8-dimethylnon-4-enoic acid?
The canonical SMILES for (Z,3R,6R)-3-hydroxy-6,8-dimethylnon-4-enoic acid is CC(C)C[C@@H](C)/C=C\[C@H](O)CC(=O)O.
What is the InChIKey of (Z,3R,6R)-3-hydroxy-6,8-dimethylnon-4-enoic acid?
The InChIKey is DRIDGDNQAAHGIM-NDVXOHMPSA-N. The full InChI is InChI=1S/C11H20O3/c1-8(2)6-9(3)4-5-10(12)7-11(13)14/h4-5,8-10,12H,6-7H2,1-3H3,(H,13,14)/b5-4-/t9-,10-/m0/s1.
What are the key properties of (Z,3R,6R)-3-hydroxy-6,8-dimethylnon-4-enoic acid?
(Z,3R,6R)-3-hydroxy-6,8-dimethylnon-4-enoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R,6R)-3-hydroxy-6,8-dimethylnon-4-enoic acid is sourced from PubChem (CID 125475724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).