CID 15953636

C35H56O6Si — CID 15953636

IUPAC—
SMILESC#CC[C@@H](C)[C@@H](OC(=O)[C@H](C)[CH][CH][CH][CH2])[C@H](O[Si](CC)(CC)CC)[C@@H]1CC[C@H](CC/C=C/[C@H]2OC(C)(C)O[C@@H]2C=C)O1
InChIInChI=1S/C35H56O6Si/c1-11-17-21-27(8)34(36)38-32(26(7)20-12-2)33(41-42(14-4,15-5)16-6)31-25-24-28(37-31)22-18-19-23-30-29(13-3)39-35(9,10)40-30/h2,11,13,17,19,21,23,26-33H,1,3,14-16,18,20,22,24-25H2,4-10H3/b23-19+/t26-,27-,28+,29-,30-,31+,32-,33-/m1/s1
InChIKeyORLBZKPOVVSPTB-ZLKUWSBJSA-N
MW600.91 g/mol
LogP7.62
Rot. Bonds19

About CID 15953636

CID 15953636 (PubChem CID 15953636) has the molecular formula C35H56O6Si and a molecular weight of 600.91 g/mol.

Molecular Properties

Compound NameCID 15953636
PubChem CID15953636
Molecular FormulaC35H56O6Si
Molecular Weight600.91 g/mol
Exact Mass600.38
IUPAC Name—
SMILESC#CC[C@@H](C)[C@@H](OC(=O)[C@H](C)[CH][CH][CH][CH2])[C@H](O[Si](CC)(CC)CC)[C@@H]1CC[C@H](CC/C=C/[C@H]2OC(C)(C)O[C@@H]2C=C)O1
InChIInChI=1S/C35H56O6Si/c1-11-17-21-27(8)34(36)38-32(26(7)20-12-2)33(41-42(14-4,15-5)16-6)31-25-24-28(37-31)22-18-19-23-30-29(13-3)39-35(9,10)40-30/h2,11,13,17,19,21,23,26-33H,1,3,14-16,18,20,22,24-25H2,4-10H3/b23-19+/t26-,27-,28+,29-,30-,31+,32-,33-/m1/s1
InChIKeyORLBZKPOVVSPTB-ZLKUWSBJSA-N
XLogP7.62
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.91
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 15953636?
The IUPAC name of CID 15953636 (CID 15953636) is not available.
What is the SMILES notation for CID 15953636?
The canonical SMILES for CID 15953636 is C#CC[C@@H](C)[C@@H](OC(=O)[C@H](C)[CH][CH][CH][CH2])[C@H](O[Si](CC)(CC)CC)[C@@H]1CC[C@H](CC/C=C/[C@H]2OC(C)(C)O[C@@H]2C=C)O1.
What is the InChIKey of CID 15953636?
The InChIKey is ORLBZKPOVVSPTB-ZLKUWSBJSA-N. The full InChI is InChI=1S/C35H56O6Si/c1-11-17-21-27(8)34(36)38-32(26(7)20-12-2)33(41-42(14-4,15-5)16-6)31-25-24-28(37-31)22-18-19-23-30-29(13-3)39-35(9,10)40-30/h2,11,13,17,19,21,23,26-33H,1,3,14-16,18,20,22,24-25H2,4-10H3/b23-19+/t26-,27-,28+,29-,30-,31+,32-,33-/m1/s1.
What are the key properties of CID 15953636?
CID 15953636 has a molecular weight of 600.91 g/mol, XLogP of 7.62, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15953636 is sourced from PubChem (CID 15953636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).