(Z)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10-pentamethyltridec-11-ene-1,9-diol

C30H64O4Si2 — CID 58762102

IUPAC(Z)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10-pentamethyltridec-11-ene-1,9-diol
SMILESC/C=C\C(C)C(O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)CO
InChIInChI=1S/C30H64O4Si2/c1-17-18-21(2)26(32)25(6)28(34-36(15,16)30(10,11)12)23(4)19-22(3)27(24(5)20-31)33-35(13,14)29(7,8)9/h17-18,21-28,31-32H,19-20H2,1-16H3/b18-17-
InChIKeyCZIUZFWWNGANGY-ZCXUNETKSA-N
MW545.01 g/mol
LogP8.27
Rot. Bonds14

About (Z)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10-pentamethyltridec-11-ene-1,9-diol

(Z)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10-pentamethyltridec-11-ene-1,9-diol (PubChem CID 58762102) has the molecular formula C30H64O4Si2 and a molecular weight of 545.01 g/mol. Its IUPAC name is (Z)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10-pentamethyltridec-11-ene-1,9-diol.

Molecular Properties

Compound Name(Z)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10-pentamethyltridec-11-ene-1,9-diol
PubChem CID58762102
Molecular FormulaC30H64O4Si2
Molecular Weight545.01 g/mol
Exact Mass544.43
IUPAC Name(Z)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10-pentamethyltridec-11-ene-1,9-diol
SMILESC/C=C\C(C)C(O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)CO
InChIInChI=1S/C30H64O4Si2/c1-17-18-21(2)26(32)25(6)28(34-36(15,16)30(10,11)12)23(4)19-22(3)27(24(5)20-31)33-35(13,14)29(7,8)9/h17-18,21-28,31-32H,19-20H2,1-16H3/b18-17-
InChIKeyCZIUZFWWNGANGY-ZCXUNETKSA-N
XLogP8.27
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.01
LogP ≤ 58.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[3-[Tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol
CID 19836152
(3R,4RS,7R)-1-(tert-Butyldimethylsilyloxy)-3,7,11-trimethyl-10-dodecen-4-ol
CID 23727931
(1E,3E,5R,6S,7R,8R,9S,11E)-8-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3,5,7,9,11-pentamethyltrideca-1,3,11-trien-6-ol
CID 24740596
(3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol
CID 24767663
(2S,3S,4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-8-ene-1,3-diol
CID 24884890
(2E,4E,6R,7S,8S,10R,14S,16Z)-1,6,10-tris[[tert-butyl(dimethyl)silyl]oxy]-17-iodo-14-methoxy-4,7-dimethylheptadeca-2,4,16-trien-8-ol
CID 44254188
(3R,4R,5S,6R,7R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7-trimethyloct-1-en-4-ol
CID 134872746
(E,4S,5S)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylnon-2-en-1-ol
CID 134883122
(3R,4R,5R,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylundec-1-ene-4,6-diol
CID 134941583
(6R,8S,12R,14S,16S)-6,8,12,14-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-10-tri(propan-2-yl)silyloxynonadeca-1,18-diene-4,16-diol
CID 134970720
(6R,8S,12R,14S,16R)-6,8,12,14-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-10-tri(propan-2-yl)silyloxynonadeca-1,18-diene-4,16-diol
CID 134970721
(6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-ol
CID 135015782

Frequently Asked Questions

What is the IUPAC name of (Z)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10-pentamethyltridec-11-ene-1,9-diol?
The IUPAC name of (Z)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10-pentamethyltridec-11-ene-1,9-diol (CID 58762102) is (Z)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10-pentamethyltridec-11-ene-1,9-diol.
What is the SMILES notation for (Z)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10-pentamethyltridec-11-ene-1,9-diol?
The canonical SMILES for (Z)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10-pentamethyltridec-11-ene-1,9-diol is C/C=C\C(C)C(O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)CO.
What is the InChIKey of (Z)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10-pentamethyltridec-11-ene-1,9-diol?
The InChIKey is CZIUZFWWNGANGY-ZCXUNETKSA-N. The full InChI is InChI=1S/C30H64O4Si2/c1-17-18-21(2)26(32)25(6)28(34-36(15,16)30(10,11)12)23(4)19-22(3)27(24(5)20-31)33-35(13,14)29(7,8)9/h17-18,21-28,31-32H,19-20H2,1-16H3/b18-17-.
What are the key properties of (Z)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10-pentamethyltridec-11-ene-1,9-diol?
(Z)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10-pentamethyltridec-11-ene-1,9-diol has a molecular weight of 545.01 g/mol, XLogP of 8.27, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,8,10-pentamethyltridec-11-ene-1,9-diol is sourced from PubChem (CID 58762102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).