ethane;1,2,3,4,5-pentamethylcyclopentane;trimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;trimethyl-(3-trimethylsilylcyclopentyl)silane

C39H90Si3 — CID 162283459

IUPACethane;1,2,3,4,5-pentamethylcyclopentane;trimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;trimethyl-(3-trimethylsilylcyclopentyl)silane
SMILESCC.CC.CC.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C([Si](C)(C)C)C1C.C[Si](C)(C)C1CCC([Si](C)(C)C)C1
InChIInChI=1S/C12H26Si.C11H26Si2.C10H20.3C2H6/c1-8-9(2)11(4)12(10(8)3)13(5,6)7;1-12(2,3)10-7-8-11(9-10)13(4,5)6;1-6-7(2)9(4)10(5)8(6)3;3*1-2/h8-12H,1-7H3;10-11H,7-9H2,1-6H3;6-10H,1-5H3;3*1-2H3
InChIKeyVJUKXNFFIKRSKW-UHFFFAOYSA-N
MW643.41 g/mol
LogP15.10
Rot. Bonds3

About ethane;1,2,3,4,5-pentamethylcyclopentane;trimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;trimethyl-(3-trimethylsilylcyclopentyl)silane

ethane;1,2,3,4,5-pentamethylcyclopentane;trimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;trimethyl-(3-trimethylsilylcyclopentyl)silane (PubChem CID 162283459) has the molecular formula C39H90Si3 and a molecular weight of 643.41 g/mol. Its IUPAC name is ethane;1,2,3,4,5-pentamethylcyclopentane;trimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;trimethyl-(3-trimethylsilylcyclopentyl)silane.

Molecular Properties

Compound Nameethane;1,2,3,4,5-pentamethylcyclopentane;trimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;trimethyl-(3-trimethylsilylcyclopentyl)silane
PubChem CID162283459
Molecular FormulaC39H90Si3
Molecular Weight643.41 g/mol
Exact Mass642.64
IUPAC Nameethane;1,2,3,4,5-pentamethylcyclopentane;trimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;trimethyl-(3-trimethylsilylcyclopentyl)silane
SMILESCC.CC.CC.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C([Si](C)(C)C)C1C.C[Si](C)(C)C1CCC([Si](C)(C)C)C1
InChIInChI=1S/C12H26Si.C11H26Si2.C10H20.3C2H6/c1-8-9(2)11(4)12(10(8)3)13(5,6)7;1-12(2,3)10-7-8-11(9-10)13(4,5)6;1-6-7(2)9(4)10(5)8(6)3;3*1-2/h8-12H,1-7H3;10-11H,7-9H2,1-6H3;6-10H,1-5H3;3*1-2H3
InChIKeyVJUKXNFFIKRSKW-UHFFFAOYSA-N
XLogP15.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.41
LogP ≤ 515.10
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 134902093
CID 134902093
CID 134902262
CID 134902262
CID 134903029
CID 134903029
CID 134903030
CID 134903030
CID 134903032
CID 134903032
CID 134903036
CID 134903036
CID 134991311
CID 134991311
CID 135046370
CID 135046370
CID 135046650
CID 135046650
CID 135046651
CID 135046651
CID 176422605
CID 176422605
Dimethyl-bis(2,3,4,5-tetramethylcyclopentyl)silane
CID 23228943

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3,4,5-pentamethylcyclopentane;trimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;trimethyl-(3-trimethylsilylcyclopentyl)silane?
The IUPAC name of ethane;1,2,3,4,5-pentamethylcyclopentane;trimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;trimethyl-(3-trimethylsilylcyclopentyl)silane (CID 162283459) is ethane;1,2,3,4,5-pentamethylcyclopentane;trimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;trimethyl-(3-trimethylsilylcyclopentyl)silane.
What is the SMILES notation for ethane;1,2,3,4,5-pentamethylcyclopentane;trimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;trimethyl-(3-trimethylsilylcyclopentyl)silane?
The canonical SMILES for ethane;1,2,3,4,5-pentamethylcyclopentane;trimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;trimethyl-(3-trimethylsilylcyclopentyl)silane is CC.CC.CC.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C([Si](C)(C)C)C1C.C[Si](C)(C)C1CCC([Si](C)(C)C)C1.
What is the InChIKey of ethane;1,2,3,4,5-pentamethylcyclopentane;trimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;trimethyl-(3-trimethylsilylcyclopentyl)silane?
The InChIKey is VJUKXNFFIKRSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26Si.C11H26Si2.C10H20.3C2H6/c1-8-9(2)11(4)12(10(8)3)13(5,6)7;1-12(2,3)10-7-8-11(9-10)13(4,5)6;1-6-7(2)9(4)10(5)8(6)3;3*1-2/h8-12H,1-7H3;10-11H,7-9H2,1-6H3;6-10H,1-5H3;3*1-2H3.
What are the key properties of ethane;1,2,3,4,5-pentamethylcyclopentane;trimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;trimethyl-(3-trimethylsilylcyclopentyl)silane?
ethane;1,2,3,4,5-pentamethylcyclopentane;trimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;trimethyl-(3-trimethylsilylcyclopentyl)silane has a molecular weight of 643.41 g/mol, XLogP of 15.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3,4,5-pentamethylcyclopentane;trimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;trimethyl-(3-trimethylsilylcyclopentyl)silane is sourced from PubChem (CID 162283459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).