(E,3R,4S)-1-tributylstannylnon-1-ene-3,4-diol

C21H44O2Sn — CID 14185832

IUPAC(E,3R,4S)-1-tributylstannylnon-1-ene-3,4-diol
SMILESCCCCC[C@H](O)[C@H](O)/C=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H17O2.3C4H9.Sn/c1-3-5-6-7-9(11)8(10)4-2;3*1-3-4-2;/h2,4,8-11H,3,5-7H2,1H3;3*1,3-4H2,2H3;/t8-,9+;;;;/m1..../s1
InChIKeyFGNBYAONEOVQMI-UKTYMXBTSA-N
MW447.29 g/mol
LogP6.23
Rot. Bonds16

About (E,3R,4S)-1-tributylstannylnon-1-ene-3,4-diol

(E,3R,4S)-1-tributylstannylnon-1-ene-3,4-diol (PubChem CID 14185832) has the molecular formula C21H44O2Sn and a molecular weight of 447.29 g/mol. Its IUPAC name is (E,3R,4S)-1-tributylstannylnon-1-ene-3,4-diol.

Molecular Properties

Compound Name(E,3R,4S)-1-tributylstannylnon-1-ene-3,4-diol
PubChem CID14185832
Molecular FormulaC21H44O2Sn
Molecular Weight447.29 g/mol
Exact Mass448.24
IUPAC Name(E,3R,4S)-1-tributylstannylnon-1-ene-3,4-diol
SMILESCCCCC[C@H](O)[C@H](O)/C=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H17O2.3C4H9.Sn/c1-3-5-6-7-9(11)8(10)4-2;3*1-3-4-2;/h2,4,8-11H,3,5-7H2,1H3;3*1,3-4H2,2H3;/t8-,9+;;;;/m1..../s1
InChIKeyFGNBYAONEOVQMI-UKTYMXBTSA-N
XLogP6.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.29
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Nonen-3-ol
CID 89560
1-Decen-3-ol
CID 170977
16-Heptadecene-1,2,4-triol
CID 158573
16-Heptadecene-1,2,4-triol, (2R,4R)-
CID 21635755
1-Undecen-3-ol
CID 3015762
Panaxytriol
CID 93484
Ginsenoyne C
CID 5317634
9-Decene-1,2-diol
CID 3020997
(6S,7S,9Z)-nonadeca-9,18-diene-6,7-diol
CID 21597697
Dodecen-3-ol
CID 107213
Tetradec-1-en-3-ol
CID 11183463
(3R)-1-Nonen-3-ol
CID 6994068

Frequently Asked Questions

What is the IUPAC name of (E,3R,4S)-1-tributylstannylnon-1-ene-3,4-diol?
The IUPAC name of (E,3R,4S)-1-tributylstannylnon-1-ene-3,4-diol (CID 14185832) is (E,3R,4S)-1-tributylstannylnon-1-ene-3,4-diol.
What is the SMILES notation for (E,3R,4S)-1-tributylstannylnon-1-ene-3,4-diol?
The canonical SMILES for (E,3R,4S)-1-tributylstannylnon-1-ene-3,4-diol is CCCCC[C@H](O)[C@H](O)/C=C/[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of (E,3R,4S)-1-tributylstannylnon-1-ene-3,4-diol?
The InChIKey is FGNBYAONEOVQMI-UKTYMXBTSA-N. The full InChI is InChI=1S/C9H17O2.3C4H9.Sn/c1-3-5-6-7-9(11)8(10)4-2;3*1-3-4-2;/h2,4,8-11H,3,5-7H2,1H3;3*1,3-4H2,2H3;/t8-,9+;;;;/m1..../s1.
What are the key properties of (E,3R,4S)-1-tributylstannylnon-1-ene-3,4-diol?
(E,3R,4S)-1-tributylstannylnon-1-ene-3,4-diol has a molecular weight of 447.29 g/mol, XLogP of 6.23, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,4S)-1-tributylstannylnon-1-ene-3,4-diol is sourced from PubChem (CID 14185832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).