(4E)-2-tributylstannylnona-2,4-dien-1-ol

C21H42OSn — CID 154232279

IUPAC(4E)-2-tributylstannylnona-2,4-dien-1-ol
SMILESCCCC/C=C/C=C(CO)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H15O.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10;3*1-3-4-2;/h5-7,10H,2-4,9H2,1H3;3*1,3-4H2,2H3;/b6-5+,8-7?;;;;
InChIKeyAWRJQBWBMFGDRO-XXXPIDQRSA-N
MW429.28 g/mol
LogP7.04
Rot. Bonds15

About (4E)-2-tributylstannylnona-2,4-dien-1-ol

(4E)-2-tributylstannylnona-2,4-dien-1-ol (PubChem CID 154232279) has the molecular formula C21H42OSn and a molecular weight of 429.28 g/mol. Its IUPAC name is (4E)-2-tributylstannylnona-2,4-dien-1-ol.

Molecular Properties

Compound Name(4E)-2-tributylstannylnona-2,4-dien-1-ol
PubChem CID154232279
Molecular FormulaC21H42OSn
Molecular Weight429.28 g/mol
Exact Mass430.23
IUPAC Name(4E)-2-tributylstannylnona-2,4-dien-1-ol
SMILESCCCC/C=C/C=C(CO)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H15O.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10;3*1-3-4-2;/h5-7,10H,2-4,9H2,1H3;3*1,3-4H2,2H3;/b6-5+,8-7?;;;;
InChIKeyAWRJQBWBMFGDRO-XXXPIDQRSA-N
XLogP7.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.28
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoroocta-1,3-diene
CID 150749668
(3E,5E)-deca-3,5-dien-1-ol
CID 118460601
1,1-dichloroocta-1,3-diene;palladium
CID 87090262
(2E,4E)-2-methyldodeca-2,4-dien-1-ol
CID 16737921
(5Z,7Z)-dodeca-5,7-dien-1-ol
CID 5365645
3-tributylstannylpent-3-en-1-ol
CID 86034571
(5Z)-dodeca-5,7-dien-5-ol
CID 87161212
(Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol
CID 11082898
tetradeca-7,9-dien-1-ol
CID 56637976
(4E,6Z)-hexadeca-4,6,11-trien-1-ol
CID 134533002
(E)-3-tributylstannylhex-2-en-1-ol
CID 10362882
(2E,4E)-2-prop-2-enoxynona-2,4-diene
CID 87210955

Frequently Asked Questions

What is the IUPAC name of (4E)-2-tributylstannylnona-2,4-dien-1-ol?
The IUPAC name of (4E)-2-tributylstannylnona-2,4-dien-1-ol (CID 154232279) is (4E)-2-tributylstannylnona-2,4-dien-1-ol.
What is the SMILES notation for (4E)-2-tributylstannylnona-2,4-dien-1-ol?
The canonical SMILES for (4E)-2-tributylstannylnona-2,4-dien-1-ol is CCCC/C=C/C=C(CO)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of (4E)-2-tributylstannylnona-2,4-dien-1-ol?
The InChIKey is AWRJQBWBMFGDRO-XXXPIDQRSA-N. The full InChI is InChI=1S/C9H15O.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10;3*1-3-4-2;/h5-7,10H,2-4,9H2,1H3;3*1,3-4H2,2H3;/b6-5+,8-7?;;;;.
What are the key properties of (4E)-2-tributylstannylnona-2,4-dien-1-ol?
(4E)-2-tributylstannylnona-2,4-dien-1-ol has a molecular weight of 429.28 g/mol, XLogP of 7.04, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-tributylstannylnona-2,4-dien-1-ol is sourced from PubChem (CID 154232279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).