1-[(E)-4-ethyl-3-hydroxy-1-tributylstannylhex-1-en-3-yl]cyclopropane-1-carbonitrile

C24H45NOSn — CID 140799459

IUPAC1-[(E)-4-ethyl-3-hydroxy-1-tributylstannylhex-1-en-3-yl]cyclopropane-1-carbonitrile
SMILESCCCC[Sn](/C=C/C(O)(C(CC)CC)C1(C#N)CC1)(CCCC)CCCC
InChIInChI=1S/C12H18NO.3C4H9.Sn/c1-4-10(5-2)12(14,6-3)11(9-13)7-8-11;3*1-3-4-2;/h3,6,10,14H,4-5,7-8H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyRNJKCNXETSLDFM-UHFFFAOYSA-N
MW482.34 g/mol
LogP7.40
Rot. Bonds15

About 1-[(E)-4-ethyl-3-hydroxy-1-tributylstannylhex-1-en-3-yl]cyclopropane-1-carbonitrile

1-[(E)-4-ethyl-3-hydroxy-1-tributylstannylhex-1-en-3-yl]cyclopropane-1-carbonitrile (PubChem CID 140799459) has the molecular formula C24H45NOSn and a molecular weight of 482.34 g/mol. Its IUPAC name is 1-[(E)-4-ethyl-3-hydroxy-1-tributylstannylhex-1-en-3-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(E)-4-ethyl-3-hydroxy-1-tributylstannylhex-1-en-3-yl]cyclopropane-1-carbonitrile
PubChem CID140799459
Molecular FormulaC24H45NOSn
Molecular Weight482.34 g/mol
Exact Mass483.25
IUPAC Name1-[(E)-4-ethyl-3-hydroxy-1-tributylstannylhex-1-en-3-yl]cyclopropane-1-carbonitrile
SMILESCCCC[Sn](/C=C/C(O)(C(CC)CC)C1(C#N)CC1)(CCCC)CCCC
InChIInChI=1S/C12H18NO.3C4H9.Sn/c1-4-10(5-2)12(14,6-3)11(9-13)7-8-11;3*1-3-4-2;/h3,6,10,14H,4-5,7-8H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyRNJKCNXETSLDFM-UHFFFAOYSA-N
XLogP7.40
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.34
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-ethyl-3-hydroxy-1-tributylstannylhex-1-en-3-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(E)-4-ethyl-3-hydroxy-1-tributylstannylhex-1-en-3-yl]cyclopropane-1-carbonitrile (CID 140799459) is 1-[(E)-4-ethyl-3-hydroxy-1-tributylstannylhex-1-en-3-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(E)-4-ethyl-3-hydroxy-1-tributylstannylhex-1-en-3-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(E)-4-ethyl-3-hydroxy-1-tributylstannylhex-1-en-3-yl]cyclopropane-1-carbonitrile is CCCC[Sn](/C=C/C(O)(C(CC)CC)C1(C#N)CC1)(CCCC)CCCC.
What is the InChIKey of 1-[(E)-4-ethyl-3-hydroxy-1-tributylstannylhex-1-en-3-yl]cyclopropane-1-carbonitrile?
The InChIKey is RNJKCNXETSLDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO.3C4H9.Sn/c1-4-10(5-2)12(14,6-3)11(9-13)7-8-11;3*1-3-4-2;/h3,6,10,14H,4-5,7-8H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of 1-[(E)-4-ethyl-3-hydroxy-1-tributylstannylhex-1-en-3-yl]cyclopropane-1-carbonitrile?
1-[(E)-4-ethyl-3-hydroxy-1-tributylstannylhex-1-en-3-yl]cyclopropane-1-carbonitrile has a molecular weight of 482.34 g/mol, XLogP of 7.40, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-ethyl-3-hydroxy-1-tributylstannylhex-1-en-3-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 140799459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).