(E,2R,3S)-3-hydroxy-2-propyloct-4-enoic acid

C11H20O3 — CID 134888463

IUPAC(E,2R,3S)-3-hydroxy-2-propyloct-4-enoic acid
SMILESCCC/C=C/[C@H](O)C(CCC)C(=O)O
InChIInChI=1S/C11H20O3/c1-3-5-6-8-10(12)9(7-4-2)11(13)14/h6,8-10,12H,3-5,7H2,1-2H3,(H,13,14)/b8-6+/t9?,10-/m0/s1
InChIKeyZDPXHWHOQHMSEC-XTDVFMGRSA-N
MW200.28 g/mol
LogP2.20
Rot. Bonds7

About (E,2R,3S)-3-hydroxy-2-propyloct-4-enoic acid

(E,2R,3S)-3-hydroxy-2-propyloct-4-enoic acid (PubChem CID 134888463) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (E,2R,3S)-3-hydroxy-2-propyloct-4-enoic acid.

Molecular Properties

Compound Name(E,2R,3S)-3-hydroxy-2-propyloct-4-enoic acid
PubChem CID134888463
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(E,2R,3S)-3-hydroxy-2-propyloct-4-enoic acid
SMILESCCC/C=C/[C@H](O)C(CCC)C(=O)O
InChIInChI=1S/C11H20O3/c1-3-5-6-8-10(12)9(7-4-2)11(13)14/h6,8-10,12H,3-5,7H2,1-2H3,(H,13,14)/b8-6+/t9?,10-/m0/s1
InChIKeyZDPXHWHOQHMSEC-XTDVFMGRSA-N
XLogP2.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

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Striatisporin A
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(1S,2R,5S,6R)-5,6-dihydroxy-2-methylcyclohex-3-ene-1-carboxylic acid
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Cubensic acid
CID 11606134
3,7,11,15-Tetrahydroxy-18-(hydroxymethyl)-2,4,6,10,14,16,20-heptamethyldocosa-4,8,12,16-tetraenoic acid
CID 73027129
(1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylic acid
CID 55300346
(1S,5S)-5-hydroxycyclohex-3-ene-1-carboxylic acid
CID 57908124
8-Hydroxy-2,7-dimethyldeca-2,4-dienedioic acid
CID 90901765
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CID 139590656
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Frequently Asked Questions

What is the IUPAC name of (E,2R,3S)-3-hydroxy-2-propyloct-4-enoic acid?
The IUPAC name of (E,2R,3S)-3-hydroxy-2-propyloct-4-enoic acid (CID 134888463) is (E,2R,3S)-3-hydroxy-2-propyloct-4-enoic acid.
What is the SMILES notation for (E,2R,3S)-3-hydroxy-2-propyloct-4-enoic acid?
The canonical SMILES for (E,2R,3S)-3-hydroxy-2-propyloct-4-enoic acid is CCC/C=C/[C@H](O)C(CCC)C(=O)O.
What is the InChIKey of (E,2R,3S)-3-hydroxy-2-propyloct-4-enoic acid?
The InChIKey is ZDPXHWHOQHMSEC-XTDVFMGRSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-5-6-8-10(12)9(7-4-2)11(13)14/h6,8-10,12H,3-5,7H2,1-2H3,(H,13,14)/b8-6+/t9?,10-/m0/s1.
What are the key properties of (E,2R,3S)-3-hydroxy-2-propyloct-4-enoic acid?
(E,2R,3S)-3-hydroxy-2-propyloct-4-enoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S)-3-hydroxy-2-propyloct-4-enoic acid is sourced from PubChem (CID 134888463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).