(2-cyclododecyl-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-dimethylsilane

C23H42Si — CID 173350406

IUPAC(2-cyclododecyl-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCC1=C(C)C(C)([SiH](C)C)C(C2CCCCCCCCCCC2)=C1C
InChIInChI=1S/C23H42Si/c1-18-19(2)22(23(4,20(18)3)24(5)6)21-16-14-12-10-8-7-9-11-13-15-17-21/h21,24H,7-17H2,1-6H3
InChIKeyXNMOPLIEJBNODB-UHFFFAOYSA-N
MW346.68 g/mol
LogP7.82
Rot. Bonds2

About (2-cyclododecyl-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-dimethylsilane

(2-cyclododecyl-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-dimethylsilane (PubChem CID 173350406) has the molecular formula C23H42Si and a molecular weight of 346.68 g/mol. Its IUPAC name is (2-cyclododecyl-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Name(2-cyclododecyl-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
PubChem CID173350406
Molecular FormulaC23H42Si
Molecular Weight346.68 g/mol
Exact Mass346.31
IUPAC Name(2-cyclododecyl-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCC1=C(C)C(C)([SiH](C)C)C(C2CCCCCCCCCCC2)=C1C
InChIInChI=1S/C23H42Si/c1-18-19(2)22(23(4,20(18)3)24(5)6)21-16-14-12-10-8-7-9-11-13-15-17-21/h21,24H,7-17H2,1-6H3
InChIKeyXNMOPLIEJBNODB-UHFFFAOYSA-N
XLogP7.82
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 ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2-cyclododecyl-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-dimethylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-cyclododecyl-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The IUPAC name of (2-cyclododecyl-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-dimethylsilane (CID 173350406) is (2-cyclododecyl-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for (2-cyclododecyl-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for (2-cyclododecyl-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-dimethylsilane is CC1=C(C)C(C)([SiH](C)C)C(C2CCCCCCCCCCC2)=C1C.
What is the InChIKey of (2-cyclododecyl-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The InChIKey is XNMOPLIEJBNODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42Si/c1-18-19(2)22(23(4,20(18)3)24(5)6)21-16-14-12-10-8-7-9-11-13-15-17-21/h21,24H,7-17H2,1-6H3.
What are the key properties of (2-cyclododecyl-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
(2-cyclododecyl-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-dimethylsilane has a molecular weight of 346.68 g/mol, XLogP of 7.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclododecyl-1,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 173350406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).