(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylnon-2-en-1-ol

C27H58O2SiSn — CID 135007562

IUPAC(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylnon-2-en-1-ol
SMILESCCCCCC(O[Si](C)(C)C(C)(C)C)/C(=C\CO)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C15H31O2Si.3C4H9.Sn/c1-7-8-9-11-14(12-10-13-16)17-18(5,6)15(2,3)4;3*1-3-4-2;/h10,14,16H,7-9,11,13H2,1-6H3;3*1,3-4H2,2H3;
InChIKeyJHFMXXPRWDKEFW-UHFFFAOYSA-N
MW561.56 g/mol
LogP9.26
Rot. Bonds18

About (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylnon-2-en-1-ol

(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylnon-2-en-1-ol (PubChem CID 135007562) has the molecular formula C27H58O2SiSn and a molecular weight of 561.56 g/mol. Its IUPAC name is (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylnon-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylnon-2-en-1-ol
PubChem CID135007562
Molecular FormulaC27H58O2SiSn
Molecular Weight561.56 g/mol
Exact Mass562.32
IUPAC Name(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylnon-2-en-1-ol
SMILESCCCCCC(O[Si](C)(C)C(C)(C)C)/C(=C\CO)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C15H31O2Si.3C4H9.Sn/c1-7-8-9-11-14(12-10-13-16)17-18(5,6)15(2,3)4;3*1-3-4-2;/h10,14,16H,7-9,11,13H2,1-6H3;3*1,3-4H2,2H3;
InChIKeyJHFMXXPRWDKEFW-UHFFFAOYSA-N
XLogP9.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.56
LogP ≤ 59.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol
CID 11295937
(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
CID 11440071
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315
(E)-3-trimethylsilyldodec-2-ene-1,4-diol
CID 13382778
(1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol
CID 15543738
5-[Tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol
CID 24795825
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
7-[Tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-1-ol
CID 78136613
(3E)-1-[tert-butyl(dimethyl)silyl]oxy-3-hexylnona-3,8-dien-2-ol
CID 101365455

Frequently Asked Questions

What is the IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylnon-2-en-1-ol?
The IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylnon-2-en-1-ol (CID 135007562) is (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylnon-2-en-1-ol.
What is the SMILES notation for (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylnon-2-en-1-ol?
The canonical SMILES for (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylnon-2-en-1-ol is CCCCCC(O[Si](C)(C)C(C)(C)C)/C(=C\CO)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylnon-2-en-1-ol?
The InChIKey is JHFMXXPRWDKEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31O2Si.3C4H9.Sn/c1-7-8-9-11-14(12-10-13-16)17-18(5,6)15(2,3)4;3*1-3-4-2;/h10,14,16H,7-9,11,13H2,1-6H3;3*1,3-4H2,2H3;.
What are the key properties of (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylnon-2-en-1-ol?
(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylnon-2-en-1-ol has a molecular weight of 561.56 g/mol, XLogP of 9.26, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylnon-2-en-1-ol is sourced from PubChem (CID 135007562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).