CID 136798587

C29H59OSi3 — CID 136798587

IUPAC—
SMILESCC(C)(C)[Si](C)(C([Si](O)[Si](C)(C(C)(C)C)C(C)(C)C)C12CC3CC(CC(C3)C1)C2)C(C)(C)C
InChIInChI=1S/C29H59OSi3/c1-25(2,3)32(13,26(4,5)6)24(31(30)33(14,27(7,8)9)28(10,11)12)29-18-21-15-22(19-29)17-23(16-21)20-29/h21-24,30H,15-20H2,1-14H3
InChIKeyYJCUKCTZHBYLMW-UHFFFAOYSA-N
MW508.05 g/mol
LogP9.53
Rot. Bonds4

About CID 136798587

CID 136798587 (PubChem CID 136798587) has the molecular formula C29H59OSi3 and a molecular weight of 508.05 g/mol.

Molecular Properties

Compound NameCID 136798587
PubChem CID136798587
Molecular FormulaC29H59OSi3
Molecular Weight508.05 g/mol
Exact Mass507.39
IUPAC Name—
SMILESCC(C)(C)[Si](C)(C([Si](O)[Si](C)(C(C)(C)C)C(C)(C)C)C12CC3CC(CC(C3)C1)C2)C(C)(C)C
InChIInChI=1S/C29H59OSi3/c1-25(2,3)32(13,26(4,5)6)24(31(30)33(14,27(7,8)9)28(10,11)12)29-18-21-15-22(19-29)17-23(16-21)20-29/h21-24,30H,15-20H2,1-14H3
InChIKeyYJCUKCTZHBYLMW-UHFFFAOYSA-N
XLogP9.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.05
LogP ≤ 59.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 136798587?
The IUPAC name of CID 136798587 (CID 136798587) is not available.
What is the SMILES notation for CID 136798587?
The canonical SMILES for CID 136798587 is CC(C)(C)[Si](C)(C([Si](O)[Si](C)(C(C)(C)C)C(C)(C)C)C12CC3CC(CC(C3)C1)C2)C(C)(C)C.
What is the InChIKey of CID 136798587?
The InChIKey is YJCUKCTZHBYLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H59OSi3/c1-25(2,3)32(13,26(4,5)6)24(31(30)33(14,27(7,8)9)28(10,11)12)29-18-21-15-22(19-29)17-23(16-21)20-29/h21-24,30H,15-20H2,1-14H3.
What are the key properties of CID 136798587?
CID 136798587 has a molecular weight of 508.05 g/mol, XLogP of 9.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136798587 is sourced from PubChem (CID 136798587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).