(6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one

C25H48O3Si — CID 5471931

IUPAC(6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one
SMILESCC[C@@H](/C=C\CCC(=O)C[C@H](O)CCC=C(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H48O3Si/c1-10-25(28-29(20(4)5,21(6)7)22(8)9)17-12-11-15-23(26)18-24(27)16-13-14-19(2)3/h12,14,17,20-22,24-25,27H,10-11,13,15-16,18H2,1-9H3/b17-12-/t24-,25+/m1/s1
InChIKeyFKLWVAQESZRPSK-BJWZYDGJSA-N
MW424.74 g/mol
LogP7.36
Rot. Bonds15

About (6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one

(6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one (PubChem CID 5471931) has the molecular formula C25H48O3Si and a molecular weight of 424.74 g/mol. Its IUPAC name is (6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one.

Molecular Properties

Compound Name(6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one
PubChem CID5471931
Molecular FormulaC25H48O3Si
Molecular Weight424.74 g/mol
Exact Mass424.34
IUPAC Name(6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one
SMILESCC[C@@H](/C=C\CCC(=O)C[C@H](O)CCC=C(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H48O3Si/c1-10-25(28-29(20(4)5,21(6)7)22(8)9)17-12-11-15-23(26)18-24(27)16-13-14-19(2)3/h12,14,17,20-22,24-25,27H,10-11,13,15-16,18H2,1-9H3/b17-12-/t24-,25+/m1/s1
InChIKeyFKLWVAQESZRPSK-BJWZYDGJSA-N
XLogP7.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.74
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one?
The IUPAC name of (6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one (CID 5471931) is (6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one.
What is the SMILES notation for (6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one?
The canonical SMILES for (6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one is CC[C@@H](/C=C\CCC(=O)C[C@H](O)CCC=C(C)C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one?
The InChIKey is FKLWVAQESZRPSK-BJWZYDGJSA-N. The full InChI is InChI=1S/C25H48O3Si/c1-10-25(28-29(20(4)5,21(6)7)22(8)9)17-12-11-15-23(26)18-24(27)16-13-14-19(2)3/h12,14,17,20-22,24-25,27H,10-11,13,15-16,18H2,1-9H3/b17-12-/t24-,25+/m1/s1.
What are the key properties of (6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one?
(6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one has a molecular weight of 424.74 g/mol, XLogP of 7.36, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11Z,13S)-6-hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one is sourced from PubChem (CID 5471931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).