CID 136677760

C42H105Si15 — CID 136677760

IUPAC—
SMILESCC(C)(C)[Si](C)(C)[Si]12[Si]3[Si]1([Si](C)(C)C(C)(C)C)[Si]1([Si](C)(C)C(C)(C)C)[Si]4([Si](C)(C)C(C)(C)C)[Si]3([Si](C)(C)C(C)(C)C)[Si]2([Si](C)(C)C(C)(C)C)[Si]14[Si](C)(C)C(C)(C)C
InChIInChI=1S/C42H105Si15/c1-36(2,3)44(22,23)51-43-52(51,45(24,25)37(4,5)6)55(48(30,31)40(13,14)15)56(49(32,33)41(16,17)18)53(43,46(26,27)38(7,8)9)54(51,47(28,29)39(10,11)12)57(55,56)50(34,35)42(19,20)21/h1-35H3
InChIKeyFPKGBPGBZUSBTE-UHFFFAOYSA-N
MW1031.59 g/mol
LogP14.74
Rot. Bonds7

About CID 136677760

CID 136677760 (PubChem CID 136677760) has the molecular formula C42H105Si15 and a molecular weight of 1031.59 g/mol.

Molecular Properties

Compound NameCID 136677760
PubChem CID136677760
Molecular FormulaC42H105Si15
Molecular Weight1031.59 g/mol
Exact Mass1029.48
IUPAC Name—
SMILESCC(C)(C)[Si](C)(C)[Si]12[Si]3[Si]1([Si](C)(C)C(C)(C)C)[Si]1([Si](C)(C)C(C)(C)C)[Si]4([Si](C)(C)C(C)(C)C)[Si]3([Si](C)(C)C(C)(C)C)[Si]2([Si](C)(C)C(C)(C)C)[Si]14[Si](C)(C)C(C)(C)C
InChIInChI=1S/C42H105Si15/c1-36(2,3)44(22,23)51-43-52(51,45(24,25)37(4,5)6)55(48(30,31)40(13,14)15)56(49(32,33)41(16,17)18)53(43,46(26,27)38(7,8)9)54(51,47(28,29)39(10,11)12)57(55,56)50(34,35)42(19,20)21/h1-35H3
InChIKeyFPKGBPGBZUSBTE-UHFFFAOYSA-N
XLogP14.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.59
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 136677760 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 136677760?
The IUPAC name of CID 136677760 (CID 136677760) is not available.
What is the SMILES notation for CID 136677760?
The canonical SMILES for CID 136677760 is CC(C)(C)[Si](C)(C)[Si]12[Si]3[Si]1([Si](C)(C)C(C)(C)C)[Si]1([Si](C)(C)C(C)(C)C)[Si]4([Si](C)(C)C(C)(C)C)[Si]3([Si](C)(C)C(C)(C)C)[Si]2([Si](C)(C)C(C)(C)C)[Si]14[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 136677760?
The InChIKey is FPKGBPGBZUSBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H105Si15/c1-36(2,3)44(22,23)51-43-52(51,45(24,25)37(4,5)6)55(48(30,31)40(13,14)15)56(49(32,33)41(16,17)18)53(43,46(26,27)38(7,8)9)54(51,47(28,29)39(10,11)12)57(55,56)50(34,35)42(19,20)21/h1-35H3.
What are the key properties of CID 136677760?
CID 136677760 has a molecular weight of 1031.59 g/mol, XLogP of 14.74, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136677760 is sourced from PubChem (CID 136677760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).