CID 69233635

C35H45OSi — CID 69233635

IUPAC—
SMILESC=CCOc1c(C)cccc1-c1c(C(C)(C)C)ccc2c1C([Si](CC)CC)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C35H45OSi/c1-11-21-36-32-23(4)15-14-16-27(32)30-29(35(8,9)10)20-19-26-25-18-17-24(34(5,6)7)22-28(25)33(31(26)30)37(12-2)13-3/h11,14-20,22,33H,1,12-13,21H2,2-10H3
InChIKeyYJRIVFRWYOXOHN-UHFFFAOYSA-N
MW509.83 g/mol
LogP10.01
Rot. Bonds7

About CID 69233635

CID 69233635 (PubChem CID 69233635) has the molecular formula C35H45OSi and a molecular weight of 509.83 g/mol.

Molecular Properties

Compound NameCID 69233635
PubChem CID69233635
Molecular FormulaC35H45OSi
Molecular Weight509.83 g/mol
Exact Mass509.32
IUPAC Name—
SMILESC=CCOc1c(C)cccc1-c1c(C(C)(C)C)ccc2c1C([Si](CC)CC)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C35H45OSi/c1-11-21-36-32-23(4)15-14-16-27(32)30-29(35(8,9)10)20-19-26-25-18-17-24(34(5,6)7)22-28(25)33(31(26)30)37(12-2)13-3/h11,14-20,22,33H,1,12-13,21H2,2-10H3
InChIKeyYJRIVFRWYOXOHN-UHFFFAOYSA-N
XLogP10.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.83
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 69233635?
The IUPAC name of CID 69233635 (CID 69233635) is not available.
What is the SMILES notation for CID 69233635?
The canonical SMILES for CID 69233635 is C=CCOc1c(C)cccc1-c1c(C(C)(C)C)ccc2c1C([Si](CC)CC)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of CID 69233635?
The InChIKey is YJRIVFRWYOXOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45OSi/c1-11-21-36-32-23(4)15-14-16-27(32)30-29(35(8,9)10)20-19-26-25-18-17-24(34(5,6)7)22-28(25)33(31(26)30)37(12-2)13-3/h11,14-20,22,33H,1,12-13,21H2,2-10H3.
What are the key properties of CID 69233635?
CID 69233635 has a molecular weight of 509.83 g/mol, XLogP of 10.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69233635 is sourced from PubChem (CID 69233635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).