dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclododecyl]silane

C23H42Si — CID 173318232

IUPACdimethyl-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclododecyl]silane
SMILESCC1=C(C)C(C)C(C2CCCCCCCCCCC2[SiH](C)C)=C1C
InChIInChI=1S/C23H42Si/c1-17-18(2)20(4)23(19(17)3)21-15-13-11-9-7-8-10-12-14-16-22(21)24(5)6/h19,21-22,24H,7-16H2,1-6H3
InChIKeyBBWSQMJFMMXDKG-UHFFFAOYSA-N
MW346.68 g/mol
LogP7.68
Rot. Bonds2

About dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclododecyl]silane

dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclododecyl]silane (PubChem CID 173318232) has the molecular formula C23H42Si and a molecular weight of 346.68 g/mol. Its IUPAC name is dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclododecyl]silane.

Molecular Properties

Compound Namedimethyl-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclododecyl]silane
PubChem CID173318232
Molecular FormulaC23H42Si
Molecular Weight346.68 g/mol
Exact Mass346.31
IUPAC Namedimethyl-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclododecyl]silane
SMILESCC1=C(C)C(C)C(C2CCCCCCCCCCC2[SiH](C)C)=C1C
InChIInChI=1S/C23H42Si/c1-17-18(2)20(4)23(19(17)3)21-15-13-11-9-7-8-10-12-14-16-22(21)24(5)6/h19,21-22,24H,7-16H2,1-6H3
InChIKeyBBWSQMJFMMXDKG-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.68
LogP ≤ 57.68
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 dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclododecyl]silane?
The IUPAC name of dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclododecyl]silane (CID 173318232) is dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclododecyl]silane.
What is the SMILES notation for dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclododecyl]silane?
The canonical SMILES for dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclododecyl]silane is CC1=C(C)C(C)C(C2CCCCCCCCCCC2[SiH](C)C)=C1C.
What is the InChIKey of dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclododecyl]silane?
The InChIKey is BBWSQMJFMMXDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42Si/c1-17-18(2)20(4)23(19(17)3)21-15-13-11-9-7-8-10-12-14-16-22(21)24(5)6/h19,21-22,24H,7-16H2,1-6H3.
What are the key properties of dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclododecyl]silane?
dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclododecyl]silane has a molecular weight of 346.68 g/mol, XLogP of 7.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)cyclododecyl]silane is sourced from PubChem (CID 173318232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).