(5S,8R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-methyl-5-propan-2-yldeca-1,9-dien-4-ol

C31H46O2Si — CID 14606283

IUPAC(5S,8R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-methyl-5-propan-2-yldeca-1,9-dien-4-ol
SMILESC=C[C@H](C)CC[C@@H](C(C)C)C(O)CC(=C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H46O2Si/c1-9-25(4)20-21-29(24(2)3)30(32)22-26(5)23-33-34(31(6,7)8,27-16-12-10-13-17-27)28-18-14-11-15-19-28/h9-19,24-25,29-30,32H,1,5,20-23H2,2-4,6-8H3/t25-,29-,30?/m0/s1
InChIKeyAJBYLUXJKNITJT-CVCBDUNSSA-N
MW478.79 g/mol
LogP6.74
Rot. Bonds13

About (5S,8R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-methyl-5-propan-2-yldeca-1,9-dien-4-ol

(5S,8R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-methyl-5-propan-2-yldeca-1,9-dien-4-ol (PubChem CID 14606283) has the molecular formula C31H46O2Si and a molecular weight of 478.79 g/mol. Its IUPAC name is (5S,8R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-methyl-5-propan-2-yldeca-1,9-dien-4-ol.

Molecular Properties

Compound Name(5S,8R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-methyl-5-propan-2-yldeca-1,9-dien-4-ol
PubChem CID14606283
Molecular FormulaC31H46O2Si
Molecular Weight478.79 g/mol
Exact Mass478.33
IUPAC Name(5S,8R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-methyl-5-propan-2-yldeca-1,9-dien-4-ol
SMILESC=C[C@H](C)CC[C@@H](C(C)C)C(O)CC(=C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H46O2Si/c1-9-25(4)20-21-29(24(2)3)30(32)22-26(5)23-33-34(31(6,7)8,27-16-12-10-13-17-27)28-18-14-11-15-19-28/h9-19,24-25,29-30,32H,1,5,20-23H2,2-4,6-8H3/t25-,29-,30?/m0/s1
InChIKeyAJBYLUXJKNITJT-CVCBDUNSSA-N
XLogP6.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.79
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S,8R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-methyl-5-propan-2-yldeca-1,9-dien-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S,8R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-methyl-5-propan-2-yldeca-1,9-dien-4-ol?
The IUPAC name of (5S,8R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-methyl-5-propan-2-yldeca-1,9-dien-4-ol (CID 14606283) is (5S,8R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-methyl-5-propan-2-yldeca-1,9-dien-4-ol.
What is the SMILES notation for (5S,8R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-methyl-5-propan-2-yldeca-1,9-dien-4-ol?
The canonical SMILES for (5S,8R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-methyl-5-propan-2-yldeca-1,9-dien-4-ol is C=C[C@H](C)CC[C@@H](C(C)C)C(O)CC(=C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (5S,8R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-methyl-5-propan-2-yldeca-1,9-dien-4-ol?
The InChIKey is AJBYLUXJKNITJT-CVCBDUNSSA-N. The full InChI is InChI=1S/C31H46O2Si/c1-9-25(4)20-21-29(24(2)3)30(32)22-26(5)23-33-34(31(6,7)8,27-16-12-10-13-17-27)28-18-14-11-15-19-28/h9-19,24-25,29-30,32H,1,5,20-23H2,2-4,6-8H3/t25-,29-,30?/m0/s1.
What are the key properties of (5S,8R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-methyl-5-propan-2-yldeca-1,9-dien-4-ol?
(5S,8R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-methyl-5-propan-2-yldeca-1,9-dien-4-ol has a molecular weight of 478.79 g/mol, XLogP of 6.74, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-methyl-5-propan-2-yldeca-1,9-dien-4-ol is sourced from PubChem (CID 14606283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).