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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Related Compounds

2-[(1S,2R)-2-ethenyl-2-hydroxy-3,3-dimethylcyclobutyl]acetonitrile
CID 24873688
2-[(1R,2S)-2-ethenyl-2-hydroxy-3,3-dimethylcyclobutyl]acetonitrile
CID 154709239
1-[(E)-3-hydroxy-4-methyl-1-tributylstannylpent-1-en-3-yl]cyclopropane-1-carbonitrile
CID 140797468
1-[(E)-1-cyclohexyl-1-hydroxy-3-tributylstannylprop-2-enyl]cyclopropane-1-carbonitrile
CID 140799457
1-[(E)-4-ethyl-3-hydroxy-1-tributylstannylhex-1-en-3-yl]cyclopropane-1-carbonitrile
CID 140799459
1-[(E)-1-cyclopropyl-1-hydroxy-3-tributylstannylprop-2-enyl]cyclopropane-1-carbonitrile
CID 140799462
1-[(E)-1-cyclopentyl-1-hydroxy-3-tributylstannylprop-2-enyl]cyclopropane-1-carbonitrile
CID 140799463
1-(1-Cyclopropyl-1-hydroxy-3-tributylstannylprop-2-enyl)cyclopropane-1-carbonitrile
CID 173620367
1-(3-Hydroxy-4-methyl-1-tributylstannylpent-1-en-3-yl)cyclobutane-1-carbonitrile
CID 173620370
1-(4-Ethyl-3-hydroxy-1-tributylstannylhex-1-en-3-yl)cyclopropane-1-carbonitrile
CID 173620371
1-(1-Cyclopentyl-1-hydroxy-3-tributylstannylprop-2-enyl)cyclopropane-1-carbonitrile
CID 173620374
1-(3-Hydroxy-4-methyl-1-tributylstannylpent-1-en-3-yl)cyclopropane-1-carbonitrile
CID 173620376

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).