(4,4-dimethylcyclohexa-1,5-dien-1-yl)-methyl-naphthalen-1-yl-phenylsilane

C25H26Si — CID 13056160

IUPAC(4,4-dimethylcyclohexa-1,5-dien-1-yl)-methyl-naphthalen-1-yl-phenylsilane
SMILESCC1(C)C=CC([Si](C)(c2ccccc2)c2cccc3ccccc23)=CC1
InChIInChI=1S/C25H26Si/c1-25(2)18-16-22(17-19-25)26(3,21-12-5-4-6-13-21)24-15-9-11-20-10-7-8-14-23(20)24/h4-18H,19H2,1-3H3
InChIKeyLQFSBXWSTXUKLR-UHFFFAOYSA-N
MW354.57 g/mol
LogP5.48
Rot. Bonds3

About (4,4-dimethylcyclohexa-1,5-dien-1-yl)-methyl-naphthalen-1-yl-phenylsilane

(4,4-dimethylcyclohexa-1,5-dien-1-yl)-methyl-naphthalen-1-yl-phenylsilane (PubChem CID 13056160) has the molecular formula C25H26Si and a molecular weight of 354.57 g/mol. Its IUPAC name is (4,4-dimethylcyclohexa-1,5-dien-1-yl)-methyl-naphthalen-1-yl-phenylsilane.

Molecular Properties

Compound Name(4,4-dimethylcyclohexa-1,5-dien-1-yl)-methyl-naphthalen-1-yl-phenylsilane
PubChem CID13056160
Molecular FormulaC25H26Si
Molecular Weight354.57 g/mol
Exact Mass354.18
IUPAC Name(4,4-dimethylcyclohexa-1,5-dien-1-yl)-methyl-naphthalen-1-yl-phenylsilane
SMILESCC1(C)C=CC([Si](C)(c2ccccc2)c2cccc3ccccc23)=CC1
InChIInChI=1S/C25H26Si/c1-25(2)18-16-22(17-19-25)26(3,21-12-5-4-6-13-21)24-15-9-11-20-10-7-8-14-23(20)24/h4-18H,19H2,1-3H3
InChIKeyLQFSBXWSTXUKLR-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.57
LogP ≤ 55.48
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 (4,4-dimethylcyclohexa-1,5-dien-1-yl)-methyl-naphthalen-1-yl-phenylsilane?
The IUPAC name of (4,4-dimethylcyclohexa-1,5-dien-1-yl)-methyl-naphthalen-1-yl-phenylsilane (CID 13056160) is (4,4-dimethylcyclohexa-1,5-dien-1-yl)-methyl-naphthalen-1-yl-phenylsilane.
What is the SMILES notation for (4,4-dimethylcyclohexa-1,5-dien-1-yl)-methyl-naphthalen-1-yl-phenylsilane?
The canonical SMILES for (4,4-dimethylcyclohexa-1,5-dien-1-yl)-methyl-naphthalen-1-yl-phenylsilane is CC1(C)C=CC([Si](C)(c2ccccc2)c2cccc3ccccc23)=CC1.
What is the InChIKey of (4,4-dimethylcyclohexa-1,5-dien-1-yl)-methyl-naphthalen-1-yl-phenylsilane?
The InChIKey is LQFSBXWSTXUKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Si/c1-25(2)18-16-22(17-19-25)26(3,21-12-5-4-6-13-21)24-15-9-11-20-10-7-8-14-23(20)24/h4-18H,19H2,1-3H3.
What are the key properties of (4,4-dimethylcyclohexa-1,5-dien-1-yl)-methyl-naphthalen-1-yl-phenylsilane?
(4,4-dimethylcyclohexa-1,5-dien-1-yl)-methyl-naphthalen-1-yl-phenylsilane has a molecular weight of 354.57 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexa-1,5-dien-1-yl)-methyl-naphthalen-1-yl-phenylsilane is sourced from PubChem (CID 13056160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).