CID 134903029

C31H47SiSm — CID 134903029

IUPAC—
SMILESCC[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.C11H17.Sm/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8;1-6-11-9(4)7(2)8(3)10(11)5;/h1-10H3;6H2,1-5H3;
InChIKeyOURSAUQFZIXNRL-UHFFFAOYSA-N
MW598.16 g/mol
LogP9.07
Rot. Bonds3

About CID 134903029

CID 134903029 (PubChem CID 134903029) has the molecular formula C31H47SiSm and a molecular weight of 598.16 g/mol.

Molecular Properties

Compound NameCID 134903029
PubChem CID134903029
Molecular FormulaC31H47SiSm
Molecular Weight598.16 g/mol
Exact Mass599.26
IUPAC Name—
SMILESCC[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.C11H17.Sm/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8;1-6-11-9(4)7(2)8(3)10(11)5;/h1-10H3;6H2,1-5H3;
InChIKeyOURSAUQFZIXNRL-UHFFFAOYSA-N
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.16
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 134903030
CID 134903030
CID 134903032
CID 134903032
CID 134903036
CID 134903036
CID 135046651
CID 135046651
1,2-Diethyl-4-methylcyclopentane;iron(2+);trimethyl-(3-methylcyclopentyl)silane
CID 58012793
Dimethyl-(3-propylcyclopentyl)-(2,3,4,5-tetramethylcyclopentyl)silane
CID 123335565
Dimethyl-[3-(3-methylbutyl)cyclopentyl]-(2,3,4,5-tetramethylcyclopentyl)silane
CID 140870646
Carbanide;dimethyl-(3-methylcyclopentyl)-[1-(2,3,4,5-tetramethylcyclopentyl)ethyl]silane;zirconium(4+)
CID 140920798
1,2-Diethyl-4-methylcyclopentane;iron(4+);methane;trimethyl-(3-methylcyclopentyl)silane
CID 160424425
Ethane;1,2,3,4,5-pentamethylcyclopentane;trimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;trimethyl-(3-trimethylsilylcyclopentyl)silane
CID 162283459
Trimethyl-[2,3,5-trimethyl-4-[(3-methyl-2-propylcyclopentyl)methyl]cyclopentyl]silane
CID 174122058
Trimethyl-[2,3,5-trimethyl-4-[(2-methylcyclopentyl)methyl]cyclopentyl]silane
CID 174122059

Frequently Asked Questions

What is the IUPAC name of CID 134903029?
The IUPAC name of CID 134903029 (CID 134903029) is not available.
What is the SMILES notation for CID 134903029?
The canonical SMILES for CID 134903029 is CC[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 134903029?
The InChIKey is OURSAUQFZIXNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30Si.C11H17.Sm/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8;1-6-11-9(4)7(2)8(3)10(11)5;/h1-10H3;6H2,1-5H3;.
What are the key properties of CID 134903029?
CID 134903029 has a molecular weight of 598.16 g/mol, XLogP of 9.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134903029 is sourced from PubChem (CID 134903029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).