(1E,5Z)-1-tributylstannylocta-1,5-dien-3-ol

C20H40OSn — CID 10764319

IUPAC(1E,5Z)-1-tributylstannylocta-1,5-dien-3-ol
SMILESCC/C=C\CC(O)/C=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H13O.3C4H9.Sn/c1-3-5-6-7-8(9)4-2;3*1-3-4-2;/h2,4-6,8-9H,3,7H2,1H3;3*1,3-4H2,2H3;/b4-2?,6-5-;;;;
InChIKeyPHFAJTSZSJVVQP-JHSPRNFXSA-N
MW415.25 g/mol
LogP6.65
Rot. Bonds14

About (1E,5Z)-1-tributylstannylocta-1,5-dien-3-ol

(1E,5Z)-1-tributylstannylocta-1,5-dien-3-ol (PubChem CID 10764319) has the molecular formula C20H40OSn and a molecular weight of 415.25 g/mol. Its IUPAC name is (1E,5Z)-1-tributylstannylocta-1,5-dien-3-ol.

Molecular Properties

Compound Name(1E,5Z)-1-tributylstannylocta-1,5-dien-3-ol
PubChem CID10764319
Molecular FormulaC20H40OSn
Molecular Weight415.25 g/mol
Exact Mass416.21
IUPAC Name(1E,5Z)-1-tributylstannylocta-1,5-dien-3-ol
SMILESCC/C=C\CC(O)/C=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H13O.3C4H9.Sn/c1-3-5-6-7-8(9)4-2;3*1-3-4-2;/h2,4-6,8-9H,3,7H2,1H3;3*1,3-4H2,2H3;/b4-2?,6-5-;;;;
InChIKeyPHFAJTSZSJVVQP-JHSPRNFXSA-N
XLogP6.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.25
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,5Z)-1-tributylstannylocta-1,5-dien-3-ol?
The IUPAC name of (1E,5Z)-1-tributylstannylocta-1,5-dien-3-ol (CID 10764319) is (1E,5Z)-1-tributylstannylocta-1,5-dien-3-ol.
What is the SMILES notation for (1E,5Z)-1-tributylstannylocta-1,5-dien-3-ol?
The canonical SMILES for (1E,5Z)-1-tributylstannylocta-1,5-dien-3-ol is CC/C=C\CC(O)/C=C/[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of (1E,5Z)-1-tributylstannylocta-1,5-dien-3-ol?
The InChIKey is PHFAJTSZSJVVQP-JHSPRNFXSA-N. The full InChI is InChI=1S/C8H13O.3C4H9.Sn/c1-3-5-6-7-8(9)4-2;3*1-3-4-2;/h2,4-6,8-9H,3,7H2,1H3;3*1,3-4H2,2H3;/b4-2?,6-5-;;;;.
What are the key properties of (1E,5Z)-1-tributylstannylocta-1,5-dien-3-ol?
(1E,5Z)-1-tributylstannylocta-1,5-dien-3-ol has a molecular weight of 415.25 g/mol, XLogP of 6.65, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5Z)-1-tributylstannylocta-1,5-dien-3-ol is sourced from PubChem (CID 10764319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).