CID 134903030

C32H49SiSm — CID 134903030

IUPAC—
SMILESCCC[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.C12H19.Sm/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8;1-6-7-12-10(4)8(2)9(3)11(12)5;/h1-10H3;6-7H2,1-5H3;
InChIKeyZWOQSTKTXLFWJD-UHFFFAOYSA-N
MW612.19 g/mol
LogP9.46
Rot. Bonds4

About CID 134903030

CID 134903030 (PubChem CID 134903030) has the molecular formula C32H49SiSm and a molecular weight of 612.19 g/mol.

Molecular Properties

Compound NameCID 134903030
PubChem CID134903030
Molecular FormulaC32H49SiSm
Molecular Weight612.19 g/mol
Exact Mass613.28
IUPAC Name—
SMILESCCC[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.C12H19.Sm/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8;1-6-7-12-10(4)8(2)9(3)11(12)5;/h1-10H3;6-7H2,1-5H3;
InChIKeyZWOQSTKTXLFWJD-UHFFFAOYSA-N
XLogP9.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.19
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 134903030?
The IUPAC name of CID 134903030 (CID 134903030) is not available.
What is the SMILES notation for CID 134903030?
The canonical SMILES for CID 134903030 is CCC[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 134903030?
The InChIKey is ZWOQSTKTXLFWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30Si.C12H19.Sm/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8;1-6-7-12-10(4)8(2)9(3)11(12)5;/h1-10H3;6-7H2,1-5H3;.
What are the key properties of CID 134903030?
CID 134903030 has a molecular weight of 612.19 g/mol, XLogP of 9.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134903030 is sourced from PubChem (CID 134903030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).