ethyl (3S)-3-hydroxy-5,9-dimethyldeca-4,8-dienoate

C14H24O3 — CID 155932832

IUPACethyl (3S)-3-hydroxy-5,9-dimethyldeca-4,8-dienoate
SMILESCCOC(=O)C[C@H](O)C=C(C)CCC=C(C)C
InChIInChI=1S/C14H24O3/c1-5-17-14(16)10-13(15)9-12(4)8-6-7-11(2)3/h7,9,13,15H,5-6,8,10H2,1-4H3/t13-/m1/s1
InChIKeyUOASXAUIUQYJFF-CYBMUJFWSA-N
MW240.34 g/mol
LogP2.99
Rot. Bonds7

About ethyl (3S)-3-hydroxy-5,9-dimethyldeca-4,8-dienoate

ethyl (3S)-3-hydroxy-5,9-dimethyldeca-4,8-dienoate (PubChem CID 155932832) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethyl (3S)-3-hydroxy-5,9-dimethyldeca-4,8-dienoate.

Molecular Properties

Compound Nameethyl (3S)-3-hydroxy-5,9-dimethyldeca-4,8-dienoate
PubChem CID155932832
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethyl (3S)-3-hydroxy-5,9-dimethyldeca-4,8-dienoate
SMILESCCOC(=O)C[C@H](O)C=C(C)CCC=C(C)C
InChIInChI=1S/C14H24O3/c1-5-17-14(16)10-13(15)9-12(4)8-6-7-11(2)3/h7,9,13,15H,5-6,8,10H2,1-4H3/t13-/m1/s1
InChIKeyUOASXAUIUQYJFF-CYBMUJFWSA-N
XLogP2.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-hydroxy-5,9-dimethyldeca-4,8-dienoate?
The IUPAC name of ethyl (3S)-3-hydroxy-5,9-dimethyldeca-4,8-dienoate (CID 155932832) is ethyl (3S)-3-hydroxy-5,9-dimethyldeca-4,8-dienoate.
What is the SMILES notation for ethyl (3S)-3-hydroxy-5,9-dimethyldeca-4,8-dienoate?
The canonical SMILES for ethyl (3S)-3-hydroxy-5,9-dimethyldeca-4,8-dienoate is CCOC(=O)C[C@H](O)C=C(C)CCC=C(C)C.
What is the InChIKey of ethyl (3S)-3-hydroxy-5,9-dimethyldeca-4,8-dienoate?
The InChIKey is UOASXAUIUQYJFF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-17-14(16)10-13(15)9-12(4)8-6-7-11(2)3/h7,9,13,15H,5-6,8,10H2,1-4H3/t13-/m1/s1.
What are the key properties of ethyl (3S)-3-hydroxy-5,9-dimethyldeca-4,8-dienoate?
ethyl (3S)-3-hydroxy-5,9-dimethyldeca-4,8-dienoate has a molecular weight of 240.34 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-hydroxy-5,9-dimethyldeca-4,8-dienoate is sourced from PubChem (CID 155932832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).