tributyl-[(Z,4R)-oct-2-en-4-yl]stannane

C20H42Sn — CID 177449135

IUPACtributyl-[(Z,4R)-oct-2-en-4-yl]stannane
SMILESC/C=C\[C@@H](CCCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H15.3C4H9.Sn/c1-3-5-7-8-6-4-2;3*1-3-4-2;/h3,5,7H,4,6,8H2,1-2H3;3*1,3-4H2,2H3;/b5-3-;;;;
InChIKeyYJONFOGGQWWPJG-KTUDTJSXSA-N
MW401.27 g/mol
LogP7.97
Rot. Bonds14

About tributyl-[(Z,4R)-oct-2-en-4-yl]stannane

tributyl-[(Z,4R)-oct-2-en-4-yl]stannane (PubChem CID 177449135) has the molecular formula C20H42Sn and a molecular weight of 401.27 g/mol. Its IUPAC name is tributyl-[(Z,4R)-oct-2-en-4-yl]stannane.

Molecular Properties

Compound Nametributyl-[(Z,4R)-oct-2-en-4-yl]stannane
PubChem CID177449135
Molecular FormulaC20H42Sn
Molecular Weight401.27 g/mol
Exact Mass402.23
IUPAC Nametributyl-[(Z,4R)-oct-2-en-4-yl]stannane
SMILESC/C=C\[C@@H](CCCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H15.3C4H9.Sn/c1-3-5-7-8-6-4-2;3*1-3-4-2;/h3,5,7H,4,6,8H2,1-2H3;3*1,3-4H2,2H3;/b5-3-;;;;
InChIKeyYJONFOGGQWWPJG-KTUDTJSXSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.27
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tributyl-[(Z,4R)-oct-2-en-4-yl]stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tributyl-[(E)-1-tributylstannylbut-2-enyl]stannane
CID 10508278
4-methyloct-2-ene
CID 528286
tributyl(hexan-2-yl)stannane
CID 88731679
tert-butyl-dimethyl-[(Z,3R)-3-tributylstannylundec-1-enoxy]silane
CID 11801236
tributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane
CID 12839862
[(E,4R)-oct-2-en-4-yl]boronic acid
CID 140799449
4,6-dimethyldec-2-ene
CID 123345769
5-prop-1-enyltridecane
CID 57064303
(E)-4-methylicos-2-ene
CID 166512402
(E)-1-tributylstannylhept-2-en-1-ol
CID 14261920
2-prop-1-enylhexan-1-ol
CID 57263629
6-[(E)-prop-1-enyl]undecane
CID 134941128

Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z,4R)-oct-2-en-4-yl]stannane?
The IUPAC name of tributyl-[(Z,4R)-oct-2-en-4-yl]stannane (CID 177449135) is tributyl-[(Z,4R)-oct-2-en-4-yl]stannane.
What is the SMILES notation for tributyl-[(Z,4R)-oct-2-en-4-yl]stannane?
The canonical SMILES for tributyl-[(Z,4R)-oct-2-en-4-yl]stannane is C/C=C\[C@@H](CCCC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(Z,4R)-oct-2-en-4-yl]stannane?
The InChIKey is YJONFOGGQWWPJG-KTUDTJSXSA-N. The full InChI is InChI=1S/C8H15.3C4H9.Sn/c1-3-5-7-8-6-4-2;3*1-3-4-2;/h3,5,7H,4,6,8H2,1-2H3;3*1,3-4H2,2H3;/b5-3-;;;;.
What are the key properties of tributyl-[(Z,4R)-oct-2-en-4-yl]stannane?
tributyl-[(Z,4R)-oct-2-en-4-yl]stannane has a molecular weight of 401.27 g/mol, XLogP of 7.97, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z,4R)-oct-2-en-4-yl]stannane is sourced from PubChem (CID 177449135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).