CID 134846314

C28H49O3Si — CID 134846314

IUPAC—
SMILESC#C[C@@H](C)[C@H](CC[C@@H](C)[C@@H]1OC2(CC[C@@H](C)[C@H](CC[C@H](C)C=C)O2)CC[C@@H]1C)O[Si](C)C
InChIInChI=1S/C28H49O3Si/c1-10-20(3)12-14-25-22(5)16-18-28(29-25)19-17-24(7)27(30-28)23(6)13-15-26(21(4)11-2)31-32(8)9/h2,10,20-27H,1,12-19H2,3-9H3/t20-,21-,22-,23-,24+,25+,26+,27+,28?/m1/s1
InChIKeyRLQMNCAZYMOORI-GKHKVWEHSA-N
MW461.78 g/mol
LogP7.24
Rot. Bonds11

About CID 134846314

CID 134846314 (PubChem CID 134846314) has the molecular formula C28H49O3Si and a molecular weight of 461.78 g/mol.

Molecular Properties

Compound NameCID 134846314
PubChem CID134846314
Molecular FormulaC28H49O3Si
Molecular Weight461.78 g/mol
Exact Mass461.35
IUPAC Name—
SMILESC#C[C@@H](C)[C@H](CC[C@@H](C)[C@@H]1OC2(CC[C@@H](C)[C@H](CC[C@H](C)C=C)O2)CC[C@@H]1C)O[Si](C)C
InChIInChI=1S/C28H49O3Si/c1-10-20(3)12-14-25-22(5)16-18-28(29-25)19-17-24(7)27(30-28)23(6)13-15-26(21(4)11-2)31-32(8)9/h2,10,20-27H,1,12-19H2,3-9H3/t20-,21-,22-,23-,24+,25+,26+,27+,28?/m1/s1
InChIKeyRLQMNCAZYMOORI-GKHKVWEHSA-N
XLogP7.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.78
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 134846314?
The IUPAC name of CID 134846314 (CID 134846314) is not available.
What is the SMILES notation for CID 134846314?
The canonical SMILES for CID 134846314 is C#C[C@@H](C)[C@H](CC[C@@H](C)[C@@H]1OC2(CC[C@@H](C)[C@H](CC[C@H](C)C=C)O2)CC[C@@H]1C)O[Si](C)C.
What is the InChIKey of CID 134846314?
The InChIKey is RLQMNCAZYMOORI-GKHKVWEHSA-N. The full InChI is InChI=1S/C28H49O3Si/c1-10-20(3)12-14-25-22(5)16-18-28(29-25)19-17-24(7)27(30-28)23(6)13-15-26(21(4)11-2)31-32(8)9/h2,10,20-27H,1,12-19H2,3-9H3/t20-,21-,22-,23-,24+,25+,26+,27+,28?/m1/s1.
What are the key properties of CID 134846314?
CID 134846314 has a molecular weight of 461.78 g/mol, XLogP of 7.24, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134846314 is sourced from PubChem (CID 134846314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).