(7R)-7-hydroxy-2-methylideneoctanoic acid

C9H16O3 — CID 158070673

IUPAC(7R)-7-hydroxy-2-methylideneoctanoic acid
SMILESC=C(CCCC[C@@H](C)O)C(=O)O
InChIInChI=1S/C9H16O3/c1-7(9(11)12)5-3-4-6-8(2)10/h8,10H,1,3-6H2,2H3,(H,11,12)/t8-/m1/s1
InChIKeyFLUAIRHIHSRKLO-MRVPVSSYSA-N
MW172.22 g/mol
LogP1.57
Rot. Bonds6

About (7R)-7-hydroxy-2-methylideneoctanoic acid

(7R)-7-hydroxy-2-methylideneoctanoic acid (PubChem CID 158070673) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (7R)-7-hydroxy-2-methylideneoctanoic acid.

Molecular Properties

Compound Name(7R)-7-hydroxy-2-methylideneoctanoic acid
PubChem CID158070673
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(7R)-7-hydroxy-2-methylideneoctanoic acid
SMILESC=C(CCCC[C@@H](C)O)C(=O)O
InChIInChI=1S/C9H16O3/c1-7(9(11)12)5-3-4-6-8(2)10/h8,10H,1,3-6H2,2H3,(H,11,12)/t8-/m1/s1
InChIKeyFLUAIRHIHSRKLO-MRVPVSSYSA-N
XLogP1.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.57
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

8-hydroxy-2-methylidenenonanoic acid
CID 54254175
2,11-dimethylidenedodecanedioic acid
CID 20542368
19-hydroxyicosanoic acid
CID 14535566
20-hydroxyhenicosanoic acid
CID 19591814
hexanedioic acid;hexane-2,5-diol
CID 160536258
6-methyl-2-methylideneoctanoic acid
CID 54361308
(2S)-2-(5-hydroxyhexyl)-3-methylidenebutanedioic acid
CID 177400028
2-methylidene-7-oxooctanoic acid
CID 87625234
8-hydroxy-6-methyl-2-methylideneoctanoic acid
CID 87276335
2-methylprop-2-enoic acid;octan-2-ol
CID 174649051
6-methyl-2-methylidenenonanoic acid
CID 54193613
(9R,10R)-9,10-dibromo-2-methylideneoctadecanoic acid
CID 129383070

Frequently Asked Questions

What is the IUPAC name of (7R)-7-hydroxy-2-methylideneoctanoic acid?
The IUPAC name of (7R)-7-hydroxy-2-methylideneoctanoic acid (CID 158070673) is (7R)-7-hydroxy-2-methylideneoctanoic acid.
What is the SMILES notation for (7R)-7-hydroxy-2-methylideneoctanoic acid?
The canonical SMILES for (7R)-7-hydroxy-2-methylideneoctanoic acid is C=C(CCCC[C@@H](C)O)C(=O)O.
What is the InChIKey of (7R)-7-hydroxy-2-methylideneoctanoic acid?
The InChIKey is FLUAIRHIHSRKLO-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16O3/c1-7(9(11)12)5-3-4-6-8(2)10/h8,10H,1,3-6H2,2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (7R)-7-hydroxy-2-methylideneoctanoic acid?
(7R)-7-hydroxy-2-methylideneoctanoic acid has a molecular weight of 172.22 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-hydroxy-2-methylideneoctanoic acid is sourced from PubChem (CID 158070673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).