CID 143282373

C39H52O10Si- — CID 143282373

IUPAC—
SMILESCOC1(c2cccc(Cc3ccc(C#C[Si-](C(C)C)(C(C)C)C(C)C)cc3)c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C39H52O10Si/c1-24(2)50(25(3)4,26(5)6)20-19-31-15-17-32(18-16-31)21-33-13-12-14-34(22-33)39(44-11)38(48-30(10)43)37(47-29(9)42)36(46-28(8)41)35(49-39)23-45-27(7)40/h12-18,22,24-26,35-38H,21,23H2,1-11H3/q-1/t35-,36-,37+,38-,39?/m1/s1
InChIKeyDIRCTSBDUFONLS-WVTZLKINSA-N
MW708.92 g/mol
LogP6.40
Rot. Bonds12

About CID 143282373

CID 143282373 (PubChem CID 143282373) has the molecular formula C39H52O10Si- and a molecular weight of 708.92 g/mol.

Molecular Properties

Compound NameCID 143282373
PubChem CID143282373
Molecular FormulaC39H52O10Si-
Molecular Weight708.92 g/mol
Exact Mass708.33
IUPAC Name—
SMILESCOC1(c2cccc(Cc3ccc(C#C[Si-](C(C)C)(C(C)C)C(C)C)cc3)c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C39H52O10Si/c1-24(2)50(25(3)4,26(5)6)20-19-31-15-17-32(18-16-31)21-33-13-12-14-34(22-33)39(44-11)38(48-30(10)43)37(47-29(9)42)36(46-28(8)41)35(49-39)23-45-27(7)40/h12-18,22,24-26,35-38H,21,23H2,1-11H3/q-1/t35-,36-,37+,38-,39?/m1/s1
InChIKeyDIRCTSBDUFONLS-WVTZLKINSA-N
XLogP6.40
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.92
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 143282373?
The IUPAC name of CID 143282373 (CID 143282373) is not available.
What is the SMILES notation for CID 143282373?
The canonical SMILES for CID 143282373 is COC1(c2cccc(Cc3ccc(C#C[Si-](C(C)C)(C(C)C)C(C)C)cc3)c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of CID 143282373?
The InChIKey is DIRCTSBDUFONLS-WVTZLKINSA-N. The full InChI is InChI=1S/C39H52O10Si/c1-24(2)50(25(3)4,26(5)6)20-19-31-15-17-32(18-16-31)21-33-13-12-14-34(22-33)39(44-11)38(48-30(10)43)37(47-29(9)42)36(46-28(8)41)35(49-39)23-45-27(7)40/h12-18,22,24-26,35-38H,21,23H2,1-11H3/q-1/t35-,36-,37+,38-,39?/m1/s1.
What are the key properties of CID 143282373?
CID 143282373 has a molecular weight of 708.92 g/mol, XLogP of 6.40, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143282373 is sourced from PubChem (CID 143282373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).