(1-cyclohexylcyclohexa-2,4-dien-1-yl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C29H40Si — CID 151431612

IUPAC(1-cyclohexylcyclohexa-2,4-dien-1-yl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([SiH](c2cc(C)cc(C)c2)C2(C3CCCCC3)C=CC=CC2)C(C)=C1C
InChIInChI=1S/C29H40Si/c1-20-17-21(2)19-27(18-20)30(28-24(5)22(3)23(4)25(28)6)29(15-11-8-12-16-29)26-13-9-7-10-14-26/h8,11-12,15,17-19,26,28,30H,7,9-10,13-14,16H2,1-6H3
InChIKeyFMARCEKZBLRNML-UHFFFAOYSA-N
MW416.73 g/mol
LogP7.63
Rot. Bonds4

About (1-cyclohexylcyclohexa-2,4-dien-1-yl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

(1-cyclohexylcyclohexa-2,4-dien-1-yl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 151431612) has the molecular formula C29H40Si and a molecular weight of 416.73 g/mol. Its IUPAC name is (1-cyclohexylcyclohexa-2,4-dien-1-yl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name(1-cyclohexylcyclohexa-2,4-dien-1-yl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID151431612
Molecular FormulaC29H40Si
Molecular Weight416.73 g/mol
Exact Mass416.29
IUPAC Name(1-cyclohexylcyclohexa-2,4-dien-1-yl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([SiH](c2cc(C)cc(C)c2)C2(C3CCCCC3)C=CC=CC2)C(C)=C1C
InChIInChI=1S/C29H40Si/c1-20-17-21(2)19-27(18-20)30(28-24(5)22(3)23(4)25(28)6)29(15-11-8-12-16-29)26-13-9-7-10-14-26/h8,11-12,15,17-19,26,28,30H,7,9-10,13-14,16H2,1-6H3
InChIKeyFMARCEKZBLRNML-UHFFFAOYSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.73
LogP ≤ 57.63
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 (1-cyclohexylcyclohexa-2,4-dien-1-yl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of (1-cyclohexylcyclohexa-2,4-dien-1-yl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 151431612) is (1-cyclohexylcyclohexa-2,4-dien-1-yl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for (1-cyclohexylcyclohexa-2,4-dien-1-yl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for (1-cyclohexylcyclohexa-2,4-dien-1-yl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=C(C)C([SiH](c2cc(C)cc(C)c2)C2(C3CCCCC3)C=CC=CC2)C(C)=C1C.
What is the InChIKey of (1-cyclohexylcyclohexa-2,4-dien-1-yl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is FMARCEKZBLRNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40Si/c1-20-17-21(2)19-27(18-20)30(28-24(5)22(3)23(4)25(28)6)29(15-11-8-12-16-29)26-13-9-7-10-14-26/h8,11-12,15,17-19,26,28,30H,7,9-10,13-14,16H2,1-6H3.
What are the key properties of (1-cyclohexylcyclohexa-2,4-dien-1-yl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
(1-cyclohexylcyclohexa-2,4-dien-1-yl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 416.73 g/mol, XLogP of 7.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylcyclohexa-2,4-dien-1-yl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 151431612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).