tributyl-[(Z)-oct-3-en-1-yn-3-yl]stannane

C20H38Sn — CID 177496668

IUPACtributyl-[(Z)-oct-3-en-1-yn-3-yl]stannane
SMILESC#C/C(=C/CCCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H11.3C4H9.Sn/c1-3-5-7-8-6-4-2;3*1-3-4-2;/h1,7H,4,6,8H2,2H3;3*1,3-4H2,2H3;
InChIKeyCEDAUNVYTBDLKM-UHFFFAOYSA-N
MW397.24 g/mol
LogP7.12
Rot. Bonds13

About tributyl-[(Z)-oct-3-en-1-yn-3-yl]stannane

tributyl-[(Z)-oct-3-en-1-yn-3-yl]stannane (PubChem CID 177496668) has the molecular formula C20H38Sn and a molecular weight of 397.24 g/mol. Its IUPAC name is tributyl-[(Z)-oct-3-en-1-yn-3-yl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-oct-3-en-1-yn-3-yl]stannane
PubChem CID177496668
Molecular FormulaC20H38Sn
Molecular Weight397.24 g/mol
Exact Mass398.20
IUPAC Nametributyl-[(Z)-oct-3-en-1-yn-3-yl]stannane
SMILESC#C/C(=C/CCCC)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H11.3C4H9.Sn/c1-3-5-7-8-6-4-2;3*1-3-4-2;/h1,7H,4,6,8H2,2H3;3*1,3-4H2,2H3;
InChIKeyCEDAUNVYTBDLKM-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.24
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-1-bromo-5-chloropent-1-enyl]-tributylstannane
CID 11784726
trimethyl-[(E)-1-tributylstannyloct-1-enyl]silane
CID 177468758
(Z)-3-tributylstannylbut-2-en-1-ol
CID 11405747
tributyl-[(E)-1-butyltellanyloct-1-enyl]stannane
CID 10698547
tributyl-[(Z)-1-[(S)-(4-methylphenyl)sulfinyl]hex-1-enyl]stannane
CID 10577652
tributyl-[(E)-1-phenylselanylhept-1-enyl]stannane
CID 15314212
triethyl-[(E)-1-tributylstannyloct-1-enoxy]silane
CID 140517328
(E)-3-tributylstannylhex-2-en-1-ol
CID 10362882
(4E)-2-tributylstannylnona-2,4-dien-1-ol
CID 154232279
5-butyldec-5-ene
CID 15367252
undec-1-ene-1,1-diol
CID 87556705
(Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol
CID 11082898

Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-oct-3-en-1-yn-3-yl]stannane?
The IUPAC name of tributyl-[(Z)-oct-3-en-1-yn-3-yl]stannane (CID 177496668) is tributyl-[(Z)-oct-3-en-1-yn-3-yl]stannane.
What is the SMILES notation for tributyl-[(Z)-oct-3-en-1-yn-3-yl]stannane?
The canonical SMILES for tributyl-[(Z)-oct-3-en-1-yn-3-yl]stannane is C#C/C(=C/CCCC)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(Z)-oct-3-en-1-yn-3-yl]stannane?
The InChIKey is CEDAUNVYTBDLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.3C4H9.Sn/c1-3-5-7-8-6-4-2;3*1-3-4-2;/h1,7H,4,6,8H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(Z)-oct-3-en-1-yn-3-yl]stannane?
tributyl-[(Z)-oct-3-en-1-yn-3-yl]stannane has a molecular weight of 397.24 g/mol, XLogP of 7.12, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-oct-3-en-1-yn-3-yl]stannane is sourced from PubChem (CID 177496668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).