CID 18736445

C30H50O2Si3 — CID 18736445

IUPAC—
SMILESCC(C)(C)[Si]OC1CC2C=CC=CC2C1[Si](C)(C)C1C(O[Si](C)(C)C(C)(C)C)CC2C=CC=CC21
InChIInChI=1S/C30H50O2Si3/c1-29(2,3)33-31-25-19-21-15-11-13-17-23(21)27(25)34(7,8)28-24-18-14-12-16-22(24)20-26(28)32-35(9,10)30(4,5)6/h11-18,21-28H,19-20H2,1-10H3
InChIKeyJHIGZJKMGKPMGX-UHFFFAOYSA-N
MW526.99 g/mol
LogP8.57
Rot. Bonds6

About CID 18736445

CID 18736445 (PubChem CID 18736445) has the molecular formula C30H50O2Si3 and a molecular weight of 526.99 g/mol.

Molecular Properties

Compound NameCID 18736445
PubChem CID18736445
Molecular FormulaC30H50O2Si3
Molecular Weight526.99 g/mol
Exact Mass526.31
IUPAC Name—
SMILESCC(C)(C)[Si]OC1CC2C=CC=CC2C1[Si](C)(C)C1C(O[Si](C)(C)C(C)(C)C)CC2C=CC=CC21
InChIInChI=1S/C30H50O2Si3/c1-29(2,3)33-31-25-19-21-15-11-13-17-23(21)27(25)34(7,8)28-24-18-14-12-16-22(24)20-26(28)32-35(9,10)30(4,5)6/h11-18,21-28H,19-20H2,1-10H3
InChIKeyJHIGZJKMGKPMGX-UHFFFAOYSA-N
XLogP8.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.99
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 18736445?
The IUPAC name of CID 18736445 (CID 18736445) is not available.
What is the SMILES notation for CID 18736445?
The canonical SMILES for CID 18736445 is CC(C)(C)[Si]OC1CC2C=CC=CC2C1[Si](C)(C)C1C(O[Si](C)(C)C(C)(C)C)CC2C=CC=CC21.
What is the InChIKey of CID 18736445?
The InChIKey is JHIGZJKMGKPMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50O2Si3/c1-29(2,3)33-31-25-19-21-15-11-13-17-23(21)27(25)34(7,8)28-24-18-14-12-16-22(24)20-26(28)32-35(9,10)30(4,5)6/h11-18,21-28H,19-20H2,1-10H3.
What are the key properties of CID 18736445?
CID 18736445 has a molecular weight of 526.99 g/mol, XLogP of 8.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18736445 is sourced from PubChem (CID 18736445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).