8-hydroxy-2-methylnon-2-enoic acid

C10H18O3 — CID 57087697

IUPAC8-hydroxy-2-methylnon-2-enoic acid
SMILESCC(=CCCCCC(C)O)C(=O)O
InChIInChI=1S/C10H18O3/c1-8(10(12)13)6-4-3-5-7-9(2)11/h6,9,11H,3-5,7H2,1-2H3,(H,12,13)
InChIKeyIYLCYWKXMUZFPR-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.96
Rot. Bonds6

About 8-hydroxy-2-methylnon-2-enoic acid

8-hydroxy-2-methylnon-2-enoic acid (PubChem CID 57087697) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 8-hydroxy-2-methylnon-2-enoic acid.

Molecular Properties

Compound Name8-hydroxy-2-methylnon-2-enoic acid
PubChem CID57087697
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name8-hydroxy-2-methylnon-2-enoic acid
SMILESCC(=CCCCCC(C)O)C(=O)O
InChIInChI=1S/C10H18O3/c1-8(10(12)13)6-4-3-5-7-9(2)11/h6,9,11H,3-5,7H2,1-2H3,(H,12,13)
InChIKeyIYLCYWKXMUZFPR-UHFFFAOYSA-N
XLogP1.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289
2,8-dimethylhexadec-2-enoic acid
CID 90737317
(E)-7-bromo-2-methylhept-2-enoic acid
CID 87183825
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
13-formyl-2-methylhenicos-2-enoic acid
CID 123997925
(E,5R)-5-hydroxy-2-methylhex-2-enoic acid
CID 55302737
(E)-2-methylnon-2-enedioic acid
CID 87072449
8-amino-2-methyloct-2-enoic acid
CID 90963841
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
3-hydroxy-2-methylidenebutanoic acid;(E)-2-methylnon-2-enoic acid
CID 88709880

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-methylnon-2-enoic acid?
The IUPAC name of 8-hydroxy-2-methylnon-2-enoic acid (CID 57087697) is 8-hydroxy-2-methylnon-2-enoic acid.
What is the SMILES notation for 8-hydroxy-2-methylnon-2-enoic acid?
The canonical SMILES for 8-hydroxy-2-methylnon-2-enoic acid is CC(=CCCCCC(C)O)C(=O)O.
What is the InChIKey of 8-hydroxy-2-methylnon-2-enoic acid?
The InChIKey is IYLCYWKXMUZFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(10(12)13)6-4-3-5-7-9(2)11/h6,9,11H,3-5,7H2,1-2H3,(H,12,13).
What are the key properties of 8-hydroxy-2-methylnon-2-enoic acid?
8-hydroxy-2-methylnon-2-enoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-methylnon-2-enoic acid is sourced from PubChem (CID 57087697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).