2-methyl-5-tributylstannylpenta-2,4-dien-1-ol

C18H36OSn — CID 71342873

IUPAC2-methyl-5-tributylstannylpenta-2,4-dien-1-ol
SMILESCCCC[Sn](C=CC=C(C)CO)(CCCC)CCCC
InChIInChI=1S/C6H9O.3C4H9.Sn/c1-3-4-6(2)5-7;3*1-3-4-2;/h1,3-4,7H,5H2,2H3;3*1,3-4H2,2H3;
InChIKeyAAZOPNWQKZHFPM-UHFFFAOYSA-N
MW387.20 g/mol
LogP5.87
Rot. Bonds12

About 2-methyl-5-tributylstannylpenta-2,4-dien-1-ol

2-methyl-5-tributylstannylpenta-2,4-dien-1-ol (PubChem CID 71342873) has the molecular formula C18H36OSn and a molecular weight of 387.20 g/mol. Its IUPAC name is 2-methyl-5-tributylstannylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Name2-methyl-5-tributylstannylpenta-2,4-dien-1-ol
PubChem CID71342873
Molecular FormulaC18H36OSn
Molecular Weight387.20 g/mol
Exact Mass388.18
IUPAC Name2-methyl-5-tributylstannylpenta-2,4-dien-1-ol
SMILESCCCC[Sn](C=CC=C(C)CO)(CCCC)CCCC
InChIInChI=1S/C6H9O.3C4H9.Sn/c1-3-4-6(2)5-7;3*1-3-4-2;/h1,3-4,7H,5H2,2H3;3*1,3-4H2,2H3;
InChIKeyAAZOPNWQKZHFPM-UHFFFAOYSA-N
XLogP5.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.20
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-5-tributylstannylpenta-2,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1E,3E)-5-bromo-4-methylpenta-1,3-dienyl]-tributylstannane
CID 15675034
(2Z,4E)-5-tributylstannylpenta-2,4-dien-1-ol
CID 172715105
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
(2E,4E)-2-methyldodeca-2,4-dien-1-ol
CID 16737921
tributyl-[(1E,3R,5E,7E,9S)-3,5,9-trimethylundeca-1,5,7-trienyl]stannane
CID 50993250
tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane
CID 10960038
(2E,4E)-2-methylhepta-2,4-dien-1-ol
CID 173250100
tributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane
CID 11257245
trimethyl-[(Z)-2-tributylstannylethenyl]silane
CID 12516692
(E)-3-tributylstannylprop-2-en-1-amine
CID 45040600
(2Z,4E)-3-methyl-5-tributylstannylpenta-2,4-dienoic acid
CID 11050736
(E)-4-tributylstannylbut-3-enoic acid
CID 11767530

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-tributylstannylpenta-2,4-dien-1-ol?
The IUPAC name of 2-methyl-5-tributylstannylpenta-2,4-dien-1-ol (CID 71342873) is 2-methyl-5-tributylstannylpenta-2,4-dien-1-ol.
What is the SMILES notation for 2-methyl-5-tributylstannylpenta-2,4-dien-1-ol?
The canonical SMILES for 2-methyl-5-tributylstannylpenta-2,4-dien-1-ol is CCCC[Sn](C=CC=C(C)CO)(CCCC)CCCC.
What is the InChIKey of 2-methyl-5-tributylstannylpenta-2,4-dien-1-ol?
The InChIKey is AAZOPNWQKZHFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O.3C4H9.Sn/c1-3-4-6(2)5-7;3*1-3-4-2;/h1,3-4,7H,5H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of 2-methyl-5-tributylstannylpenta-2,4-dien-1-ol?
2-methyl-5-tributylstannylpenta-2,4-dien-1-ol has a molecular weight of 387.20 g/mol, XLogP of 5.87, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-tributylstannylpenta-2,4-dien-1-ol is sourced from PubChem (CID 71342873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).