2-methyl-4-trimethylstannylbut-3-en-2-ol

C8H18OSn — CID 71401859

IUPAC2-methyl-4-trimethylstannylbut-3-en-2-ol
SMILESCC(C)(O)C=C[Sn](C)(C)C
InChIInChI=1S/C5H9O.3CH3.Sn/c1-4-5(2,3)6;;;;/h1,4,6H,2-3H3;3*1H3;
InChIKeySDJFSUZBJOPMOX-UHFFFAOYSA-N
MW248.94 g/mol
LogP2.19
Rot. Bonds2

About 2-methyl-4-trimethylstannylbut-3-en-2-ol

2-methyl-4-trimethylstannylbut-3-en-2-ol (PubChem CID 71401859) has the molecular formula C8H18OSn and a molecular weight of 248.94 g/mol. Its IUPAC name is 2-methyl-4-trimethylstannylbut-3-en-2-ol.

Molecular Properties

Compound Name2-methyl-4-trimethylstannylbut-3-en-2-ol
PubChem CID71401859
Molecular FormulaC8H18OSn
Molecular Weight248.94 g/mol
Exact Mass250.04
IUPAC Name2-methyl-4-trimethylstannylbut-3-en-2-ol
SMILESCC(C)(O)C=C[Sn](C)(C)C
InChIInChI=1S/C5H9O.3CH3.Sn/c1-4-5(2,3)6;;;;/h1,4,6H,2-3H3;3*1H3;
InChIKeySDJFSUZBJOPMOX-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.94
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-trimethylstannylbut-3-en-2-ol?
The IUPAC name of 2-methyl-4-trimethylstannylbut-3-en-2-ol (CID 71401859) is 2-methyl-4-trimethylstannylbut-3-en-2-ol.
What is the SMILES notation for 2-methyl-4-trimethylstannylbut-3-en-2-ol?
The canonical SMILES for 2-methyl-4-trimethylstannylbut-3-en-2-ol is CC(C)(O)C=C[Sn](C)(C)C.
What is the InChIKey of 2-methyl-4-trimethylstannylbut-3-en-2-ol?
The InChIKey is SDJFSUZBJOPMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O.3CH3.Sn/c1-4-5(2,3)6;;;;/h1,4,6H,2-3H3;3*1H3;.
What are the key properties of 2-methyl-4-trimethylstannylbut-3-en-2-ol?
2-methyl-4-trimethylstannylbut-3-en-2-ol has a molecular weight of 248.94 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-trimethylstannylbut-3-en-2-ol is sourced from PubChem (CID 71401859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).