(Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol

C28H60O2Sn2 — CID 11082898

IUPAC(Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol
SMILESCCCC[Sn](CCCC)(CCCC)/C(CO)=C(/CO)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C4H6O2.6C4H9.2Sn/c5-3-1-2-4-6;6*1-3-4-2;;/h5-6H,3-4H2;6*1,3-4H2,2H3;;
InChIKeyNHDAGZLPPHNLOW-UHFFFAOYSA-N
MW666.21 g/mol
LogP9.04
Rot. Bonds22

About (Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol

(Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol (PubChem CID 11082898) has the molecular formula C28H60O2Sn2 and a molecular weight of 666.21 g/mol. Its IUPAC name is (Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol.

Molecular Properties

Compound Name(Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol
PubChem CID11082898
Molecular FormulaC28H60O2Sn2
Molecular Weight666.21 g/mol
Exact Mass668.26
IUPAC Name(Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol
SMILESCCCC[Sn](CCCC)(CCCC)/C(CO)=C(/CO)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C4H6O2.6C4H9.2Sn/c5-3-1-2-4-6;6*1-3-4-2;;/h5-6H,3-4H2;6*1,3-4H2,2H3;;
InChIKeyNHDAGZLPPHNLOW-UHFFFAOYSA-N
XLogP9.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.21
LogP ≤ 59.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tributyl-(1,1-difluoro-3-tributylstannylprop-1-en-2-yl)stannane
CID 10032272
3-tributylstannylbut-3-en-1-ol
CID 14272948
(Z)-3-tributylstannylbut-2-en-1-ol
CID 11405747
butane;ethanol;hexane
CID 174644566
methanediol;nonane
CID 159588378
3-tributylstannylpent-3-en-1-ol
CID 86034571
[dibutyl(propyl)stannyl]formic acid
CID 88843444
(E)-3-tributylstannylhex-2-en-1-ol
CID 10362882
5-tributylstannylhex-5-en-1-ol
CID 11773674
(4E)-2-tributylstannylnona-2,4-dien-1-ol
CID 154232279
(E)-2,3-bis(tributylstannyl)but-2-enedioate
CID 20836476
butane;butan-1-ol
CID 19774960

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol?
The IUPAC name of (Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol (CID 11082898) is (Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol.
What is the SMILES notation for (Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol?
The canonical SMILES for (Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol is CCCC[Sn](CCCC)(CCCC)/C(CO)=C(/CO)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of (Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol?
The InChIKey is NHDAGZLPPHNLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.6C4H9.2Sn/c5-3-1-2-4-6;6*1-3-4-2;;/h5-6H,3-4H2;6*1,3-4H2,2H3;;.
What are the key properties of (Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol?
(Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol has a molecular weight of 666.21 g/mol, XLogP of 9.04, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol is sourced from PubChem (CID 11082898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).