1-[(E)-3-hydroxy-4-methyl-1-tributylstannylpent-1-en-3-yl]cyclobutane-1-carbonitrile

C23H43NOSn — CID 140799458

IUPAC1-[(E)-3-hydroxy-4-methyl-1-tributylstannylpent-1-en-3-yl]cyclobutane-1-carbonitrile
SMILESCCCC[Sn](/C=C/C(O)(C(C)C)C1(C#N)CCC1)(CCCC)CCCC
InChIInChI=1S/C11H16NO.3C4H9.Sn/c1-4-11(13,9(2)3)10(8-12)6-5-7-10;3*1-3-4-2;/h1,4,9,13H,5-7H2,2-3H3;3*1,3-4H2,2H3;
InChIKeyXGJXQPRESAYQEX-UHFFFAOYSA-N
MW468.31 g/mol
LogP7.01
Rot. Bonds13

About 1-[(E)-3-hydroxy-4-methyl-1-tributylstannylpent-1-en-3-yl]cyclobutane-1-carbonitrile

1-[(E)-3-hydroxy-4-methyl-1-tributylstannylpent-1-en-3-yl]cyclobutane-1-carbonitrile (PubChem CID 140799458) has the molecular formula C23H43NOSn and a molecular weight of 468.31 g/mol. Its IUPAC name is 1-[(E)-3-hydroxy-4-methyl-1-tributylstannylpent-1-en-3-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[(E)-3-hydroxy-4-methyl-1-tributylstannylpent-1-en-3-yl]cyclobutane-1-carbonitrile
PubChem CID140799458
Molecular FormulaC23H43NOSn
Molecular Weight468.31 g/mol
Exact Mass469.24
IUPAC Name1-[(E)-3-hydroxy-4-methyl-1-tributylstannylpent-1-en-3-yl]cyclobutane-1-carbonitrile
SMILESCCCC[Sn](/C=C/C(O)(C(C)C)C1(C#N)CCC1)(CCCC)CCCC
InChIInChI=1S/C11H16NO.3C4H9.Sn/c1-4-11(13,9(2)3)10(8-12)6-5-7-10;3*1-3-4-2;/h1,4,9,13H,5-7H2,2-3H3;3*1,3-4H2,2H3;
InChIKeyXGJXQPRESAYQEX-UHFFFAOYSA-N
XLogP7.01
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.31
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-hydroxy-4-methyl-1-tributylstannylpent-1-en-3-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[(E)-3-hydroxy-4-methyl-1-tributylstannylpent-1-en-3-yl]cyclobutane-1-carbonitrile (CID 140799458) is 1-[(E)-3-hydroxy-4-methyl-1-tributylstannylpent-1-en-3-yl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[(E)-3-hydroxy-4-methyl-1-tributylstannylpent-1-en-3-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[(E)-3-hydroxy-4-methyl-1-tributylstannylpent-1-en-3-yl]cyclobutane-1-carbonitrile is CCCC[Sn](/C=C/C(O)(C(C)C)C1(C#N)CCC1)(CCCC)CCCC.
What is the InChIKey of 1-[(E)-3-hydroxy-4-methyl-1-tributylstannylpent-1-en-3-yl]cyclobutane-1-carbonitrile?
The InChIKey is XGJXQPRESAYQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO.3C4H9.Sn/c1-4-11(13,9(2)3)10(8-12)6-5-7-10;3*1-3-4-2;/h1,4,9,13H,5-7H2,2-3H3;3*1,3-4H2,2H3;.
What are the key properties of 1-[(E)-3-hydroxy-4-methyl-1-tributylstannylpent-1-en-3-yl]cyclobutane-1-carbonitrile?
1-[(E)-3-hydroxy-4-methyl-1-tributylstannylpent-1-en-3-yl]cyclobutane-1-carbonitrile has a molecular weight of 468.31 g/mol, XLogP of 7.01, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-hydroxy-4-methyl-1-tributylstannylpent-1-en-3-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 140799458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).