(3E,5Z)-2-methyl-4-tributylstannylocta-3,5-dien-2-ol

C21H42OSn — CID 16664053

IUPAC(3E,5Z)-2-methyl-4-tributylstannylocta-3,5-dien-2-ol
SMILESCC/C=C\C(=C/C(C)(C)O)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H15O.3C4H9.Sn/c1-4-5-6-7-8-9(2,3)10;3*1-3-4-2;/h5-6,8,10H,4H2,1-3H3;3*1,3-4H2,2H3;/b6-5-,8-7?;;;;
InChIKeySSBLCAPYIPUOCB-PFWNJXQMSA-N
MW429.28 g/mol
LogP7.04
Rot. Bonds13

About (3E,5Z)-2-methyl-4-tributylstannylocta-3,5-dien-2-ol

(3E,5Z)-2-methyl-4-tributylstannylocta-3,5-dien-2-ol (PubChem CID 16664053) has the molecular formula C21H42OSn and a molecular weight of 429.28 g/mol. Its IUPAC name is (3E,5Z)-2-methyl-4-tributylstannylocta-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E,5Z)-2-methyl-4-tributylstannylocta-3,5-dien-2-ol
PubChem CID16664053
Molecular FormulaC21H42OSn
Molecular Weight429.28 g/mol
Exact Mass430.23
IUPAC Name(3E,5Z)-2-methyl-4-tributylstannylocta-3,5-dien-2-ol
SMILESCC/C=C\C(=C/C(C)(C)O)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H15O.3C4H9.Sn/c1-4-5-6-7-8-9(2,3)10;3*1-3-4-2;/h5-6,8,10H,4H2,1-3H3;3*1,3-4H2,2H3;/b6-5-,8-7?;;;;
InChIKeySSBLCAPYIPUOCB-PFWNJXQMSA-N
XLogP7.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-tributylstannylpent-4-en-2-ol
CID 15155654
(4E)-2-tributylstannylnona-2,4-dien-1-ol
CID 154232279
tributyl-[(E)-1-tert-butylsulfanylprop-1-enyl]stannane
CID 11122627
(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol
CID 14248080
(4S)-4-methyl-1-tributylstannyloct-1-en-4-ol
CID 173361577
hexane;hex-3-en-2-one
CID 159035878
[dibutyl(propyl)stannyl]formic acid
CID 88843444
(E)-5-methylidenenon-3-ene
CID 173104879
dodec-2-ene-1,1,1-triol
CID 139766576
(Z)-2-hydroxy-2-methylhex-3-enamide
CID 146609859
(Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol
CID 11082898
(Z)-3-tributylstannylbut-2-en-1-ol
CID 11405747

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-2-methyl-4-tributylstannylocta-3,5-dien-2-ol?
The IUPAC name of (3E,5Z)-2-methyl-4-tributylstannylocta-3,5-dien-2-ol (CID 16664053) is (3E,5Z)-2-methyl-4-tributylstannylocta-3,5-dien-2-ol.
What is the SMILES notation for (3E,5Z)-2-methyl-4-tributylstannylocta-3,5-dien-2-ol?
The canonical SMILES for (3E,5Z)-2-methyl-4-tributylstannylocta-3,5-dien-2-ol is CC/C=C\C(=C/C(C)(C)O)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of (3E,5Z)-2-methyl-4-tributylstannylocta-3,5-dien-2-ol?
The InChIKey is SSBLCAPYIPUOCB-PFWNJXQMSA-N. The full InChI is InChI=1S/C9H15O.3C4H9.Sn/c1-4-5-6-7-8-9(2,3)10;3*1-3-4-2;/h5-6,8,10H,4H2,1-3H3;3*1,3-4H2,2H3;/b6-5-,8-7?;;;;.
What are the key properties of (3E,5Z)-2-methyl-4-tributylstannylocta-3,5-dien-2-ol?
(3E,5Z)-2-methyl-4-tributylstannylocta-3,5-dien-2-ol has a molecular weight of 429.28 g/mol, XLogP of 7.04, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2-methyl-4-tributylstannylocta-3,5-dien-2-ol is sourced from PubChem (CID 16664053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).