tributyl-(1-butylcyclopenta-2,4-dien-1-yl)stannane

C21H40Sn — CID 71382304

IUPACtributyl-(1-butylcyclopenta-2,4-dien-1-yl)stannane
SMILESCCCCC1([Sn](CCCC)(CCCC)CCCC)C=CC=C1
InChIInChI=1S/C9H13.3C4H9.Sn/c1-2-3-6-9-7-4-5-8-9;3*1-3-4-2;/h4-5,7-8H,2-3,6H2,1H3;3*1,3-4H2,2H3;
InChIKeyAEVPTXIZPVPWME-UHFFFAOYSA-N
MW411.26 g/mol
LogP7.89
Rot. Bonds13

About tributyl-(1-butylcyclopenta-2,4-dien-1-yl)stannane

tributyl-(1-butylcyclopenta-2,4-dien-1-yl)stannane (PubChem CID 71382304) has the molecular formula C21H40Sn and a molecular weight of 411.26 g/mol. Its IUPAC name is tributyl-(1-butylcyclopenta-2,4-dien-1-yl)stannane.

Molecular Properties

Compound Nametributyl-(1-butylcyclopenta-2,4-dien-1-yl)stannane
PubChem CID71382304
Molecular FormulaC21H40Sn
Molecular Weight411.26 g/mol
Exact Mass412.22
IUPAC Nametributyl-(1-butylcyclopenta-2,4-dien-1-yl)stannane
SMILESCCCCC1([Sn](CCCC)(CCCC)CCCC)C=CC=C1
InChIInChI=1S/C9H13.3C4H9.Sn/c1-2-3-6-9-7-4-5-8-9;3*1-3-4-2;/h4-5,7-8H,2-3,6H2,1H3;3*1,3-4H2,2H3;
InChIKeyAEVPTXIZPVPWME-UHFFFAOYSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.26
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tributyl-(1-fluorocyclopropyl)stannane
CID 178118319
tetrabutylstannane
CID 160899301
magnesium;butyl(trichloro)stannane;hydride
CID 174801683
tetrabutylstannane;hydrate
CID 87560971
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
6-butyl-6-tert-butylcyclohexa-2,4-dien-1-ol
CID 172822423
3-tributylstannylcyclobut-2-en-1-one
CID 10428388
6-butyl-6-methoxycyclohexa-2,4-dien-1-ol
CID 67914629
tributyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]stannane
CID 167311332
6-butyl-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde
CID 87076835
5-butyl-5-propan-2-yltetrazole
CID 69385429
1-nonyl-2-octylcyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 174885576

Frequently Asked Questions

What is the IUPAC name of tributyl-(1-butylcyclopenta-2,4-dien-1-yl)stannane?
The IUPAC name of tributyl-(1-butylcyclopenta-2,4-dien-1-yl)stannane (CID 71382304) is tributyl-(1-butylcyclopenta-2,4-dien-1-yl)stannane.
What is the SMILES notation for tributyl-(1-butylcyclopenta-2,4-dien-1-yl)stannane?
The canonical SMILES for tributyl-(1-butylcyclopenta-2,4-dien-1-yl)stannane is CCCCC1([Sn](CCCC)(CCCC)CCCC)C=CC=C1.
What is the InChIKey of tributyl-(1-butylcyclopenta-2,4-dien-1-yl)stannane?
The InChIKey is AEVPTXIZPVPWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.3C4H9.Sn/c1-2-3-6-9-7-4-5-8-9;3*1-3-4-2;/h4-5,7-8H,2-3,6H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(1-butylcyclopenta-2,4-dien-1-yl)stannane?
tributyl-(1-butylcyclopenta-2,4-dien-1-yl)stannane has a molecular weight of 411.26 g/mol, XLogP of 7.89, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(1-butylcyclopenta-2,4-dien-1-yl)stannane is sourced from PubChem (CID 71382304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).