[(5Z,7E,9E,11E)-tetradeca-5,7,9,11-tetraenyl] (2R)-2-hydroxy-3-methylbutanoate

C19H30O3 — CID 162658906

IUPAC[(5Z,7E,9E,11E)-tetradeca-5,7,9,11-tetraenyl] (2R)-2-hydroxy-3-methylbutanoate
SMILESCC/C=C/C=C/C=C/C=C\CCCCOC(=O)[C@H](O)C(C)C
InChIInChI=1S/C19H30O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-19(21)18(20)17(2)3/h5-12,17-18,20H,4,13-16H2,1-3H3/b6-5+,8-7+,10-9+,12-11-/t18-/m1/s1
InChIKeyMFYVPBMNSAAFKP-SJXBUGQXSA-N
MW306.45 g/mol
LogP4.35
Rot. Bonds11

About [(5Z,7E,9E,11E)-tetradeca-5,7,9,11-tetraenyl] (2R)-2-hydroxy-3-methylbutanoate

[(5Z,7E,9E,11E)-tetradeca-5,7,9,11-tetraenyl] (2R)-2-hydroxy-3-methylbutanoate (PubChem CID 162658906) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is [(5Z,7E,9E,11E)-tetradeca-5,7,9,11-tetraenyl] (2R)-2-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Name[(5Z,7E,9E,11E)-tetradeca-5,7,9,11-tetraenyl] (2R)-2-hydroxy-3-methylbutanoate
PubChem CID162658906
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name[(5Z,7E,9E,11E)-tetradeca-5,7,9,11-tetraenyl] (2R)-2-hydroxy-3-methylbutanoate
SMILESCC/C=C/C=C/C=C/C=C\CCCCOC(=O)[C@H](O)C(C)C
InChIInChI=1S/C19H30O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-19(21)18(20)17(2)3/h5-12,17-18,20H,4,13-16H2,1-3H3/b6-5+,8-7+,10-9+,12-11-/t18-/m1/s1
InChIKeyMFYVPBMNSAAFKP-SJXBUGQXSA-N
XLogP4.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(5Z,7E,9E,11E)-tetradeca-5,7,9,11-tetraenyl] (2R)-2-hydroxy-3-methylbutanoate?
The IUPAC name of [(5Z,7E,9E,11E)-tetradeca-5,7,9,11-tetraenyl] (2R)-2-hydroxy-3-methylbutanoate (CID 162658906) is [(5Z,7E,9E,11E)-tetradeca-5,7,9,11-tetraenyl] (2R)-2-hydroxy-3-methylbutanoate.
What is the SMILES notation for [(5Z,7E,9E,11E)-tetradeca-5,7,9,11-tetraenyl] (2R)-2-hydroxy-3-methylbutanoate?
The canonical SMILES for [(5Z,7E,9E,11E)-tetradeca-5,7,9,11-tetraenyl] (2R)-2-hydroxy-3-methylbutanoate is CC/C=C/C=C/C=C/C=C\CCCCOC(=O)[C@H](O)C(C)C.
What is the InChIKey of [(5Z,7E,9E,11E)-tetradeca-5,7,9,11-tetraenyl] (2R)-2-hydroxy-3-methylbutanoate?
The InChIKey is MFYVPBMNSAAFKP-SJXBUGQXSA-N. The full InChI is InChI=1S/C19H30O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-19(21)18(20)17(2)3/h5-12,17-18,20H,4,13-16H2,1-3H3/b6-5+,8-7+,10-9+,12-11-/t18-/m1/s1.
What are the key properties of [(5Z,7E,9E,11E)-tetradeca-5,7,9,11-tetraenyl] (2R)-2-hydroxy-3-methylbutanoate?
[(5Z,7E,9E,11E)-tetradeca-5,7,9,11-tetraenyl] (2R)-2-hydroxy-3-methylbutanoate has a molecular weight of 306.45 g/mol, XLogP of 4.35, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z,7E,9E,11E)-tetradeca-5,7,9,11-tetraenyl] (2R)-2-hydroxy-3-methylbutanoate is sourced from PubChem (CID 162658906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).