8-(3-ethylundecan-3-yl)-11,11-dimethylnaphtho[1,2-b][1]benzosilole

C31H42Si — CID 177473437

IUPAC8-(3-ethylundecan-3-yl)-11,11-dimethylnaphtho[1,2-b][1]benzosilole
SMILESCCCCCCCCC(CC)(CC)c1ccc2c(c1)-c1ccc3ccccc3c1[Si]2(C)C
InChIInChI=1S/C31H42Si/c1-6-9-10-11-12-15-22-31(7-2,8-3)25-19-21-29-28(23-25)27-20-18-24-16-13-14-17-26(24)30(27)32(29,4)5/h13-14,16-21,23H,6-12,15,22H2,1-5H3
InChIKeyWSPDOUYGJXRMLU-UHFFFAOYSA-N
MW442.76 g/mol
LogP8.45
Rot. Bonds10

About 8-(3-ethylundecan-3-yl)-11,11-dimethylnaphtho[1,2-b][1]benzosilole

8-(3-ethylundecan-3-yl)-11,11-dimethylnaphtho[1,2-b][1]benzosilole (PubChem CID 177473437) has the molecular formula C31H42Si and a molecular weight of 442.76 g/mol. Its IUPAC name is 8-(3-ethylundecan-3-yl)-11,11-dimethylnaphtho[1,2-b][1]benzosilole.

Molecular Properties

Compound Name8-(3-ethylundecan-3-yl)-11,11-dimethylnaphtho[1,2-b][1]benzosilole
PubChem CID177473437
Molecular FormulaC31H42Si
Molecular Weight442.76 g/mol
Exact Mass442.31
IUPAC Name8-(3-ethylundecan-3-yl)-11,11-dimethylnaphtho[1,2-b][1]benzosilole
SMILESCCCCCCCCC(CC)(CC)c1ccc2c(c1)-c1ccc3ccccc3c1[Si]2(C)C
InChIInChI=1S/C31H42Si/c1-6-9-10-11-12-15-22-31(7-2,8-3)25-19-21-29-28(23-25)27-20-18-24-16-13-14-17-26(24)30(27)32(29,4)5/h13-14,16-21,23H,6-12,15,22H2,1-5H3
InChIKeyWSPDOUYGJXRMLU-UHFFFAOYSA-N
XLogP8.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.76
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(3-ethyldodecan-3-yl)benzene
CID 150177069
2-(2-bromophenyl)-6-(3-ethylundecan-3-yl)naphthalene
CID 155109185
heptane;phenanthrene
CID 157482146
2-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-8-yl)-4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 160898852
5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol
CID 70513024
2-ethyl-2-phenyldecan-1-ol
CID 66058928
2-ethyl-2-phenylnonan-1-ol
CID 66057887
3-(chloromethyl)undecan-3-ylbenzene
CID 66033821
5-butylhexadecan-5-ylbenzene
CID 173084700
2-(8-ethylpentadecan-8-yl)phenol
CID 87184015
2-(11-ethylhenicosan-11-yl)phenol
CID 87183827
N,2-diethyl-2-phenyldecan-1-amine
CID 63507626

Frequently Asked Questions

What is the IUPAC name of 8-(3-ethylundecan-3-yl)-11,11-dimethylnaphtho[1,2-b][1]benzosilole?
The IUPAC name of 8-(3-ethylundecan-3-yl)-11,11-dimethylnaphtho[1,2-b][1]benzosilole (CID 177473437) is 8-(3-ethylundecan-3-yl)-11,11-dimethylnaphtho[1,2-b][1]benzosilole.
What is the SMILES notation for 8-(3-ethylundecan-3-yl)-11,11-dimethylnaphtho[1,2-b][1]benzosilole?
The canonical SMILES for 8-(3-ethylundecan-3-yl)-11,11-dimethylnaphtho[1,2-b][1]benzosilole is CCCCCCCCC(CC)(CC)c1ccc2c(c1)-c1ccc3ccccc3c1[Si]2(C)C.
What is the InChIKey of 8-(3-ethylundecan-3-yl)-11,11-dimethylnaphtho[1,2-b][1]benzosilole?
The InChIKey is WSPDOUYGJXRMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42Si/c1-6-9-10-11-12-15-22-31(7-2,8-3)25-19-21-29-28(23-25)27-20-18-24-16-13-14-17-26(24)30(27)32(29,4)5/h13-14,16-21,23H,6-12,15,22H2,1-5H3.
What are the key properties of 8-(3-ethylundecan-3-yl)-11,11-dimethylnaphtho[1,2-b][1]benzosilole?
8-(3-ethylundecan-3-yl)-11,11-dimethylnaphtho[1,2-b][1]benzosilole has a molecular weight of 442.76 g/mol, XLogP of 8.45, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethylundecan-3-yl)-11,11-dimethylnaphtho[1,2-b][1]benzosilole is sourced from PubChem (CID 177473437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).