(13-hydroxy-13-oxo-16-trimethylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-10-yl)-trimethylsilane

C26H37O4PSi2 — CID 134945098

IUPAC(13-hydroxy-13-oxo-16-trimethylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-10-yl)-trimethylsilane
SMILESC[Si](C)(C)c1cc2c(c3c1OP(=O)(O)Oc1c([Si](C)(C)C)cc4c(c1-3)CCCC4)CCCC2
InChIInChI=1S/C26H37O4PSi2/c1-32(2,3)21-15-17-11-7-9-13-19(17)23-24-20-14-10-8-12-18(20)16-22(33(4,5)6)26(24)30-31(27,28)29-25(21)23/h15-16H,7-14H2,1-6H3,(H,27,28)
InChIKeyKETRODKUWBQPBF-UHFFFAOYSA-N
MW500.72 g/mol
LogP6.07
Rot. Bonds2

About (13-hydroxy-13-oxo-16-trimethylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-10-yl)-trimethylsilane

(13-hydroxy-13-oxo-16-trimethylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-10-yl)-trimethylsilane (PubChem CID 134945098) has the molecular formula C26H37O4PSi2 and a molecular weight of 500.72 g/mol. Its IUPAC name is (13-hydroxy-13-oxo-16-trimethylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-10-yl)-trimethylsilane.

Molecular Properties

Compound Name(13-hydroxy-13-oxo-16-trimethylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-10-yl)-trimethylsilane
PubChem CID134945098
Molecular FormulaC26H37O4PSi2
Molecular Weight500.72 g/mol
Exact Mass500.20
IUPAC Name(13-hydroxy-13-oxo-16-trimethylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-10-yl)-trimethylsilane
SMILESC[Si](C)(C)c1cc2c(c3c1OP(=O)(O)Oc1c([Si](C)(C)C)cc4c(c1-3)CCCC4)CCCC2
InChIInChI=1S/C26H37O4PSi2/c1-32(2,3)21-15-17-11-7-9-13-19(17)23-24-20-14-10-8-12-18(20)16-22(33(4,5)6)26(24)30-31(27,28)29-25(21)23/h15-16H,7-14H2,1-6H3,(H,27,28)
InChIKeyKETRODKUWBQPBF-UHFFFAOYSA-N
XLogP6.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.72
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (13-hydroxy-13-oxo-16-trimethylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-10-yl)-trimethylsilane?
The IUPAC name of (13-hydroxy-13-oxo-16-trimethylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-10-yl)-trimethylsilane (CID 134945098) is (13-hydroxy-13-oxo-16-trimethylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-10-yl)-trimethylsilane.
What is the SMILES notation for (13-hydroxy-13-oxo-16-trimethylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-10-yl)-trimethylsilane?
The canonical SMILES for (13-hydroxy-13-oxo-16-trimethylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-10-yl)-trimethylsilane is C[Si](C)(C)c1cc2c(c3c1OP(=O)(O)Oc1c([Si](C)(C)C)cc4c(c1-3)CCCC4)CCCC2.
What is the InChIKey of (13-hydroxy-13-oxo-16-trimethylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-10-yl)-trimethylsilane?
The InChIKey is KETRODKUWBQPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37O4PSi2/c1-32(2,3)21-15-17-11-7-9-13-19(17)23-24-20-14-10-8-12-18(20)16-22(33(4,5)6)26(24)30-31(27,28)29-25(21)23/h15-16H,7-14H2,1-6H3,(H,27,28).
What are the key properties of (13-hydroxy-13-oxo-16-trimethylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-10-yl)-trimethylsilane?
(13-hydroxy-13-oxo-16-trimethylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-10-yl)-trimethylsilane has a molecular weight of 500.72 g/mol, XLogP of 6.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (13-hydroxy-13-oxo-16-trimethylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-10-yl)-trimethylsilane is sourced from PubChem (CID 134945098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).