4-tert-butyl-1-(2-methylbut-3-en-2-yl)-1-naphthalen-1-ylsilinane

C24H34Si — CID 15400630

IUPAC4-tert-butyl-1-(2-methylbut-3-en-2-yl)-1-naphthalen-1-ylsilinane
SMILESC=CC(C)(C)[Si]1(c2cccc3ccccc23)CCC(C(C)(C)C)CC1
InChIInChI=1S/C24H34Si/c1-7-24(5,6)25(17-15-20(16-18-25)23(2,3)4)22-14-10-12-19-11-8-9-13-21(19)22/h7-14,20H,1,15-18H2,2-6H3
InChIKeyCOMGICUAFFZYTN-UHFFFAOYSA-N
MW350.62 g/mol
LogP6.92
Rot. Bonds3

About 4-tert-butyl-1-(2-methylbut-3-en-2-yl)-1-naphthalen-1-ylsilinane

4-tert-butyl-1-(2-methylbut-3-en-2-yl)-1-naphthalen-1-ylsilinane (PubChem CID 15400630) has the molecular formula C24H34Si and a molecular weight of 350.62 g/mol. Its IUPAC name is 4-tert-butyl-1-(2-methylbut-3-en-2-yl)-1-naphthalen-1-ylsilinane.

Molecular Properties

Compound Name4-tert-butyl-1-(2-methylbut-3-en-2-yl)-1-naphthalen-1-ylsilinane
PubChem CID15400630
Molecular FormulaC24H34Si
Molecular Weight350.62 g/mol
Exact Mass350.24
IUPAC Name4-tert-butyl-1-(2-methylbut-3-en-2-yl)-1-naphthalen-1-ylsilinane
SMILESC=CC(C)(C)[Si]1(c2cccc3ccccc23)CCC(C(C)(C)C)CC1
InChIInChI=1S/C24H34Si/c1-7-24(5,6)25(17-15-20(16-18-25)23(2,3)4)22-14-10-12-19-11-8-9-13-21(19)22/h7-14,20H,1,15-18H2,2-6H3
InChIKeyCOMGICUAFFZYTN-UHFFFAOYSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4,6,8,10-pentamethyl-2,4,6,8,10-pentanaphthalen-1-yl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
CID 169094038
1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene
CID 139071014
2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine
CID 102640302
3-tert-butyl-1,2,3,4-tetrahydrophenanthrene
CID 169291663
dimethyl-(2-methylbut-3-en-2-yl)-naphthalen-1-ylsilane
CID 14490056
9,10-bis[(4-tert-butylcyclohexyl)oxy]anthracene
CID 139845435
1,1-dinaphthalen-1-yl-2,2-diphenyldisiletane
CID 139686295
tert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane
CID 158112502
(4-tert-butylcyclohexyl)-(1-hydroxynaphthalen-2-yl)methanone
CID 44531313
N-benzyl-4-tert-butyl-N-methylcyclohexan-1-amine;ethane
CID 144654857
5-methyl-5-naphthalen-1-ylbenzo[b][1]benzosilole
CID 162024535
2-[2-(4-tert-butylcyclohexyl)-3-hydroxynaphthalen-1-yl]-2-oxoacetaldehyde
CID 174340804

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2-methylbut-3-en-2-yl)-1-naphthalen-1-ylsilinane?
The IUPAC name of 4-tert-butyl-1-(2-methylbut-3-en-2-yl)-1-naphthalen-1-ylsilinane (CID 15400630) is 4-tert-butyl-1-(2-methylbut-3-en-2-yl)-1-naphthalen-1-ylsilinane.
What is the SMILES notation for 4-tert-butyl-1-(2-methylbut-3-en-2-yl)-1-naphthalen-1-ylsilinane?
The canonical SMILES for 4-tert-butyl-1-(2-methylbut-3-en-2-yl)-1-naphthalen-1-ylsilinane is C=CC(C)(C)[Si]1(c2cccc3ccccc23)CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-(2-methylbut-3-en-2-yl)-1-naphthalen-1-ylsilinane?
The InChIKey is COMGICUAFFZYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34Si/c1-7-24(5,6)25(17-15-20(16-18-25)23(2,3)4)22-14-10-12-19-11-8-9-13-21(19)22/h7-14,20H,1,15-18H2,2-6H3.
What are the key properties of 4-tert-butyl-1-(2-methylbut-3-en-2-yl)-1-naphthalen-1-ylsilinane?
4-tert-butyl-1-(2-methylbut-3-en-2-yl)-1-naphthalen-1-ylsilinane has a molecular weight of 350.62 g/mol, XLogP of 6.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2-methylbut-3-en-2-yl)-1-naphthalen-1-ylsilinane is sourced from PubChem (CID 15400630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).