1-[(E)-1-cyclopentyl-1-hydroxy-3-tributylstannylprop-2-enyl]cyclopropane-1-carbonitrile

C24H43NOSn — CID 140799463

IUPAC1-[(E)-1-cyclopentyl-1-hydroxy-3-tributylstannylprop-2-enyl]cyclopropane-1-carbonitrile
SMILESCCCC[Sn](/C=C/C(O)(C1CCCC1)C1(C#N)CC1)(CCCC)CCCC
InChIInChI=1S/C12H16NO.3C4H9.Sn/c1-2-12(14,10-5-3-4-6-10)11(9-13)7-8-11;3*1-3-4-2;/h1-2,10,14H,3-8H2;3*1,3-4H2,2H3;
InChIKeyZVVLEFIAGNSJSY-UHFFFAOYSA-N
MW480.33 g/mol
LogP7.16
Rot. Bonds13

About 1-[(E)-1-cyclopentyl-1-hydroxy-3-tributylstannylprop-2-enyl]cyclopropane-1-carbonitrile

1-[(E)-1-cyclopentyl-1-hydroxy-3-tributylstannylprop-2-enyl]cyclopropane-1-carbonitrile (PubChem CID 140799463) has the molecular formula C24H43NOSn and a molecular weight of 480.33 g/mol. Its IUPAC name is 1-[(E)-1-cyclopentyl-1-hydroxy-3-tributylstannylprop-2-enyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(E)-1-cyclopentyl-1-hydroxy-3-tributylstannylprop-2-enyl]cyclopropane-1-carbonitrile
PubChem CID140799463
Molecular FormulaC24H43NOSn
Molecular Weight480.33 g/mol
Exact Mass481.24
IUPAC Name1-[(E)-1-cyclopentyl-1-hydroxy-3-tributylstannylprop-2-enyl]cyclopropane-1-carbonitrile
SMILESCCCC[Sn](/C=C/C(O)(C1CCCC1)C1(C#N)CC1)(CCCC)CCCC
InChIInChI=1S/C12H16NO.3C4H9.Sn/c1-2-12(14,10-5-3-4-6-10)11(9-13)7-8-11;3*1-3-4-2;/h1-2,10,14H,3-8H2;3*1,3-4H2,2H3;
InChIKeyZVVLEFIAGNSJSY-UHFFFAOYSA-N
XLogP7.16
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.33
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-cyclopentyl-1-hydroxy-3-tributylstannylprop-2-enyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(E)-1-cyclopentyl-1-hydroxy-3-tributylstannylprop-2-enyl]cyclopropane-1-carbonitrile (CID 140799463) is 1-[(E)-1-cyclopentyl-1-hydroxy-3-tributylstannylprop-2-enyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(E)-1-cyclopentyl-1-hydroxy-3-tributylstannylprop-2-enyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(E)-1-cyclopentyl-1-hydroxy-3-tributylstannylprop-2-enyl]cyclopropane-1-carbonitrile is CCCC[Sn](/C=C/C(O)(C1CCCC1)C1(C#N)CC1)(CCCC)CCCC.
What is the InChIKey of 1-[(E)-1-cyclopentyl-1-hydroxy-3-tributylstannylprop-2-enyl]cyclopropane-1-carbonitrile?
The InChIKey is ZVVLEFIAGNSJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NO.3C4H9.Sn/c1-2-12(14,10-5-3-4-6-10)11(9-13)7-8-11;3*1-3-4-2;/h1-2,10,14H,3-8H2;3*1,3-4H2,2H3;.
What are the key properties of 1-[(E)-1-cyclopentyl-1-hydroxy-3-tributylstannylprop-2-enyl]cyclopropane-1-carbonitrile?
1-[(E)-1-cyclopentyl-1-hydroxy-3-tributylstannylprop-2-enyl]cyclopropane-1-carbonitrile has a molecular weight of 480.33 g/mol, XLogP of 7.16, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-cyclopentyl-1-hydroxy-3-tributylstannylprop-2-enyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 140799463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).