(E)-3-hydroxy-8,8-dimethylnon-6-enoic acid

C11H20O3 — CID 142275419

IUPAC(E)-3-hydroxy-8,8-dimethylnon-6-enoic acid
SMILESCC(C)(C)/C=C/CCC(O)CC(=O)O
InChIInChI=1S/C11H20O3/c1-11(2,3)7-5-4-6-9(12)8-10(13)14/h5,7,9,12H,4,6,8H2,1-3H3,(H,13,14)/b7-5+
InChIKeyLWZIBZOLHKUEJP-FNORWQNLSA-N
MW200.28 g/mol
LogP2.20
Rot. Bonds5

About (E)-3-hydroxy-8,8-dimethylnon-6-enoic acid

(E)-3-hydroxy-8,8-dimethylnon-6-enoic acid (PubChem CID 142275419) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (E)-3-hydroxy-8,8-dimethylnon-6-enoic acid.

Molecular Properties

Compound Name(E)-3-hydroxy-8,8-dimethylnon-6-enoic acid
PubChem CID142275419
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(E)-3-hydroxy-8,8-dimethylnon-6-enoic acid
SMILESCC(C)(C)/C=C/CCC(O)CC(=O)O
InChIInChI=1S/C11H20O3/c1-11(2,3)7-5-4-6-9(12)8-10(13)14/h5,7,9,12H,4,6,8H2,1-3H3,(H,13,14)/b7-5+
InChIKeyLWZIBZOLHKUEJP-FNORWQNLSA-N
XLogP2.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxynon-6-enoic acid
CID 57374123
(3R)-3-hydroxy-7-methyloct-6-enoic acid
CID 14333599
14,14-dimethylpentadeca-4,8,12-trienoic acid
CID 141431302
(2R)-2-ethyl-5-hydroxyheptanedioic acid
CID 59616410
2,8,8-trimethylnon-6-enoic acid
CID 57003004
3-hydroxyhexanoic acid;methane
CID 175209406
3-hydroxyhenicosa-12,20-dienoic acid
CID 139805434
(Z,3R)-3-hydroxytetradec-7-enoic acid
CID 24881363
(Z)-3-hydroxyhexadec-10-enoic acid
CID 164665006
3-hydroxydec-9-enoic acid
CID 19010677
2,2-bis(hydroxymethyl)propane-1,3-diol;3-hydroxybutanoic acid
CID 174844775
(3R)-6-borono-3-hydroxyheptanoic acid
CID 172578906

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-8,8-dimethylnon-6-enoic acid?
The IUPAC name of (E)-3-hydroxy-8,8-dimethylnon-6-enoic acid (CID 142275419) is (E)-3-hydroxy-8,8-dimethylnon-6-enoic acid.
What is the SMILES notation for (E)-3-hydroxy-8,8-dimethylnon-6-enoic acid?
The canonical SMILES for (E)-3-hydroxy-8,8-dimethylnon-6-enoic acid is CC(C)(C)/C=C/CCC(O)CC(=O)O.
What is the InChIKey of (E)-3-hydroxy-8,8-dimethylnon-6-enoic acid?
The InChIKey is LWZIBZOLHKUEJP-FNORWQNLSA-N. The full InChI is InChI=1S/C11H20O3/c1-11(2,3)7-5-4-6-9(12)8-10(13)14/h5,7,9,12H,4,6,8H2,1-3H3,(H,13,14)/b7-5+.
What are the key properties of (E)-3-hydroxy-8,8-dimethylnon-6-enoic acid?
(E)-3-hydroxy-8,8-dimethylnon-6-enoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-8,8-dimethylnon-6-enoic acid is sourced from PubChem (CID 142275419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).