CID 175414627

C33H52NOSi — CID 175414627

IUPAC—
SMILESCC(C)(C)N.CC(C)C1=Cc2c(-c3ccccc3)cccc2C1[Si](C)CCCCCCOC(C)(C)C
InChIInChI=1S/C29H41OSi.C4H11N/c1-22(2)26-21-27-24(23-15-10-9-11-16-23)17-14-18-25(27)28(26)31(6)20-13-8-7-12-19-30-29(3,4)5;1-4(2,3)5/h9-11,14-18,21-22,28H,7-8,12-13,19-20H2,1-6H3;5H2,1-3H3
InChIKeyWEELCNZUFGQLMM-UHFFFAOYSA-N
MW506.87 g/mol
LogP9.27
Rot. Bonds10

About CID 175414627

CID 175414627 (PubChem CID 175414627) has the molecular formula C33H52NOSi and a molecular weight of 506.87 g/mol.

Molecular Properties

Compound NameCID 175414627
PubChem CID175414627
Molecular FormulaC33H52NOSi
Molecular Weight506.87 g/mol
Exact Mass506.38
IUPAC Name—
SMILESCC(C)(C)N.CC(C)C1=Cc2c(-c3ccccc3)cccc2C1[Si](C)CCCCCCOC(C)(C)C
InChIInChI=1S/C29H41OSi.C4H11N/c1-22(2)26-21-27-24(23-15-10-9-11-16-23)17-14-18-25(27)28(26)31(6)20-13-8-7-12-19-30-29(3,4)5;1-4(2,3)5/h9-11,14-18,21-22,28H,7-8,12-13,19-20H2,1-6H3;5H2,1-3H3
InChIKeyWEELCNZUFGQLMM-UHFFFAOYSA-N
XLogP9.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.87
LogP ≤ 59.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175414627?
The IUPAC name of CID 175414627 (CID 175414627) is not available.
What is the SMILES notation for CID 175414627?
The canonical SMILES for CID 175414627 is CC(C)(C)N.CC(C)C1=Cc2c(-c3ccccc3)cccc2C1[Si](C)CCCCCCOC(C)(C)C.
What is the InChIKey of CID 175414627?
The InChIKey is WEELCNZUFGQLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41OSi.C4H11N/c1-22(2)26-21-27-24(23-15-10-9-11-16-23)17-14-18-25(27)28(26)31(6)20-13-8-7-12-19-30-29(3,4)5;1-4(2,3)5/h9-11,14-18,21-22,28H,7-8,12-13,19-20H2,1-6H3;5H2,1-3H3.
What are the key properties of CID 175414627?
CID 175414627 has a molecular weight of 506.87 g/mol, XLogP of 9.27, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175414627 is sourced from PubChem (CID 175414627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).