(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-(hydroxymethyl)-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-5-ol

C27H48O6Si — CID 11670494

IUPAC(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-(hydroxymethyl)-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-5-ol
SMILESC/C=C\CC[C@@H]1O[C@@H]2C[C@@H]3O[C@H](CO)[C@@](C)(O[Si](C)(C)C(C)(C)C)C=C[C@H]3O[C@@]2(C)C[C@@]1(C)O
InChIInChI=1S/C27H48O6Si/c1-10-11-12-13-21-25(5,29)18-27(7)22(31-21)16-20-19(32-27)14-15-26(6,23(17-28)30-20)33-34(8,9)24(2,3)4/h10-11,14-15,19-23,28-29H,12-13,16-18H2,1-9H3/b11-10-/t19-,20+,21+,22-,23-,25-,26+,27+/m1/s1
InChIKeyCFDWHYMFZWLQCY-BWQLSMPPSA-N
MW496.76 g/mol
LogP4.90
Rot. Bonds6

About (1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-(hydroxymethyl)-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-5-ol

(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-(hydroxymethyl)-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-5-ol (PubChem CID 11670494) has the molecular formula C27H48O6Si and a molecular weight of 496.76 g/mol. Its IUPAC name is (1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-(hydroxymethyl)-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-5-ol.

Molecular Properties

Compound Name(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-(hydroxymethyl)-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-5-ol
PubChem CID11670494
Molecular FormulaC27H48O6Si
Molecular Weight496.76 g/mol
Exact Mass496.32
IUPAC Name(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-(hydroxymethyl)-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-5-ol
SMILESC/C=C\CC[C@@H]1O[C@@H]2C[C@@H]3O[C@H](CO)[C@@](C)(O[Si](C)(C)C(C)(C)C)C=C[C@H]3O[C@@]2(C)C[C@@]1(C)O
InChIInChI=1S/C27H48O6Si/c1-10-11-12-13-21-25(5,29)18-27(7)22(31-21)16-20-19(32-27)14-15-26(6,23(17-28)30-20)33-34(8,9)24(2,3)4/h10-11,14-15,19-23,28-29H,12-13,16-18H2,1-9H3/b11-10-/t19-,20+,21+,22-,23-,25-,26+,27+/m1/s1
InChIKeyCFDWHYMFZWLQCY-BWQLSMPPSA-N
XLogP4.90
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.76
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-(hydroxymethyl)-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-5-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 (1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-(hydroxymethyl)-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-5-ol?
The IUPAC name of (1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-(hydroxymethyl)-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-5-ol (CID 11670494) is (1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-(hydroxymethyl)-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-5-ol.
What is the SMILES notation for (1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-(hydroxymethyl)-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-5-ol?
The canonical SMILES for (1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-(hydroxymethyl)-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-5-ol is C/C=C\CC[C@@H]1O[C@@H]2C[C@@H]3O[C@H](CO)[C@@](C)(O[Si](C)(C)C(C)(C)C)C=C[C@H]3O[C@@]2(C)C[C@@]1(C)O.
What is the InChIKey of (1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-(hydroxymethyl)-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-5-ol?
The InChIKey is CFDWHYMFZWLQCY-BWQLSMPPSA-N. The full InChI is InChI=1S/C27H48O6Si/c1-10-11-12-13-21-25(5,29)18-27(7)22(31-21)16-20-19(32-27)14-15-26(6,23(17-28)30-20)33-34(8,9)24(2,3)4/h10-11,14-15,19-23,28-29H,12-13,16-18H2,1-9H3/b11-10-/t19-,20+,21+,22-,23-,25-,26+,27+/m1/s1.
What are the key properties of (1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-(hydroxymethyl)-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-5-ol?
(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-(hydroxymethyl)-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-5-ol has a molecular weight of 496.76 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-(hydroxymethyl)-3,5,13-trimethyl-6-[(Z)-pent-3-enyl]-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-5-ol is sourced from PubChem (CID 11670494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).