CID 134903036

C30H45SiSm — CID 134903036

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C]([Si](C)(C)[C]2[C](C)[C](C)[C](C)[C]2C)[C]1C.[Sm]
InChIInChI=1S/C20H30Si.C10H15.Sm/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8;1-6-7(2)9(4)10(5)8(6)3;/h1-10H3;1-5H3;
InChIKeyPNRITDMUHUUCRG-UHFFFAOYSA-N
MW584.14 g/mol
LogP8.68
Rot. Bonds2

About CID 134903036

CID 134903036 (PubChem CID 134903036) has the molecular formula C30H45SiSm and a molecular weight of 584.14 g/mol.

Molecular Properties

Compound NameCID 134903036
PubChem CID134903036
Molecular FormulaC30H45SiSm
Molecular Weight584.14 g/mol
Exact Mass585.25
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C]([Si](C)(C)[C]2[C](C)[C](C)[C](C)[C]2C)[C]1C.[Sm]
InChIInChI=1S/C20H30Si.C10H15.Sm/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8;1-6-7(2)9(4)10(5)8(6)3;/h1-10H3;1-5H3;
InChIKeyPNRITDMUHUUCRG-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.14
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 134903036 with MolForge

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

Launch Full Analysis

Related Compounds

CID 134882043
CID 134882043
CID 134902093
CID 134902093
CID 134902262
CID 134902262
CID 134903029
CID 134903029
CID 134903030
CID 134903030
CID 134903032
CID 134903032
CID 134903033
CID 134903033
CID 134991311
CID 134991311
CID 135046370
CID 135046370
CID 135046638
CID 135046638
CID 135046650
CID 135046650
CID 135046651
CID 135046651

Frequently Asked Questions

What is the IUPAC name of CID 134903036?
The IUPAC name of CID 134903036 (CID 134903036) is not available.
What is the SMILES notation for CID 134903036?
The canonical SMILES for CID 134903036 is C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C]([Si](C)(C)[C]2[C](C)[C](C)[C](C)[C]2C)[C]1C.[Sm].
What is the InChIKey of CID 134903036?
The InChIKey is PNRITDMUHUUCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30Si.C10H15.Sm/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8;1-6-7(2)9(4)10(5)8(6)3;/h1-10H3;1-5H3;.
What are the key properties of CID 134903036?
CID 134903036 has a molecular weight of 584.14 g/mol, XLogP of 8.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134903036 is sourced from PubChem (CID 134903036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).