(Z)-2-iodo-3-tributylstannylprop-2-enoic acid

C15H29IO2Sn — CID 139263815

IUPAC(Z)-2-iodo-3-tributylstannylprop-2-enoic acid
SMILESCCCC[Sn](/C=C(\I)C(=O)O)(CCCC)CCCC
InChIInChI=1S/3C4H9.C3H2IO2.Sn/c3*1-3-4-2;1-2(4)3(5)6;/h3*1,3-4H2,2H3;1H,(H,5,6);
InChIKeyRHBHMCBCCQQBCT-UHFFFAOYSA-N
MW487.01 g/mol
LogP5.78
Rot. Bonds11

About (Z)-2-iodo-3-tributylstannylprop-2-enoic acid

(Z)-2-iodo-3-tributylstannylprop-2-enoic acid (PubChem CID 139263815) has the molecular formula C15H29IO2Sn and a molecular weight of 487.01 g/mol. Its IUPAC name is (Z)-2-iodo-3-tributylstannylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-iodo-3-tributylstannylprop-2-enoic acid
PubChem CID139263815
Molecular FormulaC15H29IO2Sn
Molecular Weight487.01 g/mol
Exact Mass488.02
IUPAC Name(Z)-2-iodo-3-tributylstannylprop-2-enoic acid
SMILESCCCC[Sn](/C=C(\I)C(=O)O)(CCCC)CCCC
InChIInChI=1S/3C4H9.C3H2IO2.Sn/c3*1-3-4-2;1-2(4)3(5)6;/h3*1,3-4H2,2H3;1H,(H,5,6);
InChIKeyRHBHMCBCCQQBCT-UHFFFAOYSA-N
XLogP5.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.01
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-3-tributylstannylprop-2-enal
CID 173254861
(E)-4-tributylstannylbut-3-enoic acid
CID 11767530
oxalic acid;pentane
CID 158926498
(2Z,4E)-3-methyl-5-tributylstannylpenta-2,4-dienoic acid
CID 11050736
(E)-N,N-dimethyl-3-tributylstannylprop-2-enamide
CID 19785799
icosane;oxalic acid
CID 175691290
(Z)-but-2-enedioic acid;dibutyl(dichloro)stannane
CID 162328803
ethyl (2Z)-2-(tributylstannylmethylidene)-4-trimethylsilylpent-4-enoate
CID 134904819
tributyl(ethenyl)stannane
CID 159728320
CID 87086123
CID 87086123
acetic acid;1-[acetyl(dibutyl)stannyl]ethanone
CID 162317403
[dibutyl(propyl)stannyl]formic acid
CID 88843444

Frequently Asked Questions

What is the IUPAC name of (Z)-2-iodo-3-tributylstannylprop-2-enoic acid?
The IUPAC name of (Z)-2-iodo-3-tributylstannylprop-2-enoic acid (CID 139263815) is (Z)-2-iodo-3-tributylstannylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-iodo-3-tributylstannylprop-2-enoic acid?
The canonical SMILES for (Z)-2-iodo-3-tributylstannylprop-2-enoic acid is CCCC[Sn](/C=C(\I)C(=O)O)(CCCC)CCCC.
What is the InChIKey of (Z)-2-iodo-3-tributylstannylprop-2-enoic acid?
The InChIKey is RHBHMCBCCQQBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C3H2IO2.Sn/c3*1-3-4-2;1-2(4)3(5)6;/h3*1,3-4H2,2H3;1H,(H,5,6);.
What are the key properties of (Z)-2-iodo-3-tributylstannylprop-2-enoic acid?
(Z)-2-iodo-3-tributylstannylprop-2-enoic acid has a molecular weight of 487.01 g/mol, XLogP of 5.78, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-iodo-3-tributylstannylprop-2-enoic acid is sourced from PubChem (CID 139263815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).