2,5-bis(tributylstannyl)pent-4-enoic acid

C29H60O2Sn2 — CID 173392847

IUPAC2,5-bis(tributylstannyl)pent-4-enoic acid
SMILESCCCC[Sn](C=CCC(C(=O)O)[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
InChIInChI=1S/C5H6O2.6C4H9.2Sn/c1-2-3-4-5(6)7;6*1-3-4-2;;/h1-2,4H,3H2,(H,6,7);6*1,3-4H2,2H3;;
InChIKeyRSAXOZZXZUDVRK-UHFFFAOYSA-N
MW678.22 g/mol
LogP10.62
Rot. Bonds23

About 2,5-bis(tributylstannyl)pent-4-enoic acid

2,5-bis(tributylstannyl)pent-4-enoic acid (PubChem CID 173392847) has the molecular formula C29H60O2Sn2 and a molecular weight of 678.22 g/mol. Its IUPAC name is 2,5-bis(tributylstannyl)pent-4-enoic acid.

Molecular Properties

Compound Name2,5-bis(tributylstannyl)pent-4-enoic acid
PubChem CID173392847
Molecular FormulaC29H60O2Sn2
Molecular Weight678.22 g/mol
Exact Mass680.26
IUPAC Name2,5-bis(tributylstannyl)pent-4-enoic acid
SMILESCCCC[Sn](C=CCC(C(=O)O)[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
InChIInChI=1S/C5H6O2.6C4H9.2Sn/c1-2-3-4-5(6)7;6*1-3-4-2;;/h1-2,4H,3H2,(H,6,7);6*1,3-4H2,2H3;;
InChIKeyRSAXOZZXZUDVRK-UHFFFAOYSA-N
XLogP10.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.22
LogP ≤ 510.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-tributylstannylbut-3-enoic acid
CID 11767530
dimethyl 2-[(E)-3-tributylstannylprop-2-enyl]propanedioate
CID 177384195
tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane
CID 10574786
(E)-3-tributylstannylprop-2-en-1-amine
CID 45040600
4-tributylstannyldec-1-en-5-one
CID 10527216
(2Z,4E)-3-methyl-5-tributylstannylpenta-2,4-dienoic acid
CID 11050736
tributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane
CID 11257245
(E)-N,N-dimethyl-3-tributylstannylprop-2-enamide
CID 19785799
methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate
CID 139263828
(4S)-4-methyl-1-tributylstannyloct-1-en-4-ol
CID 173361577
(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol
CID 14248080
[(E)-4-tributylstannylbut-3-en-2-yl] acetate
CID 14112699

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(tributylstannyl)pent-4-enoic acid?
The IUPAC name of 2,5-bis(tributylstannyl)pent-4-enoic acid (CID 173392847) is 2,5-bis(tributylstannyl)pent-4-enoic acid.
What is the SMILES notation for 2,5-bis(tributylstannyl)pent-4-enoic acid?
The canonical SMILES for 2,5-bis(tributylstannyl)pent-4-enoic acid is CCCC[Sn](C=CCC(C(=O)O)[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC.
What is the InChIKey of 2,5-bis(tributylstannyl)pent-4-enoic acid?
The InChIKey is RSAXOZZXZUDVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2.6C4H9.2Sn/c1-2-3-4-5(6)7;6*1-3-4-2;;/h1-2,4H,3H2,(H,6,7);6*1,3-4H2,2H3;;.
What are the key properties of 2,5-bis(tributylstannyl)pent-4-enoic acid?
2,5-bis(tributylstannyl)pent-4-enoic acid has a molecular weight of 678.22 g/mol, XLogP of 10.62, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(tributylstannyl)pent-4-enoic acid is sourced from PubChem (CID 173392847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).