(Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-ol

C31H66O4Si2 — CID 58822540

IUPAC(Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-ol
SMILESCCC(O)/C=C\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)C(C)OC
InChIInChI=1S/C31H66O4Si2/c1-18-27(32)20-19-22(2)28(34-36(14,15)30(7,8)9)23(3)21-24(4)29(25(5)26(6)33-13)35-37(16,17)31(10,11)12/h19-20,22-29,32H,18,21H2,1-17H3/b20-19-
InChIKeyYHVPUXFXFKRYLJ-VXPUYCOJSA-N
MW559.04 g/mol
LogP9.06
Rot. Bonds15

About (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-ol

(Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-ol (PubChem CID 58822540) has the molecular formula C31H66O4Si2 and a molecular weight of 559.04 g/mol. Its IUPAC name is (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-ol.

Molecular Properties

Compound Name(Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-ol
PubChem CID58822540
Molecular FormulaC31H66O4Si2
Molecular Weight559.04 g/mol
Exact Mass558.45
IUPAC Name(Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-ol
SMILESCCC(O)/C=C\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)C(C)OC
InChIInChI=1S/C31H66O4Si2/c1-18-27(32)20-19-22(2)28(34-36(14,15)30(7,8)9)23(3)21-24(4)29(25(5)26(6)33-13)35-37(16,17)31(10,11)12/h19-20,22-29,32H,18,21H2,1-17H3/b20-19-
InChIKeyYHVPUXFXFKRYLJ-VXPUYCOJSA-N
XLogP9.06
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.04
LogP ≤ 59.06
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-ol?
The IUPAC name of (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-ol (CID 58822540) is (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-ol.
What is the SMILES notation for (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-ol?
The canonical SMILES for (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-ol is CCC(O)/C=C\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)C(C)OC.
What is the InChIKey of (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-ol?
The InChIKey is YHVPUXFXFKRYLJ-VXPUYCOJSA-N. The full InChI is InChI=1S/C31H66O4Si2/c1-18-27(32)20-19-22(2)28(34-36(14,15)30(7,8)9)23(3)21-24(4)29(25(5)26(6)33-13)35-37(16,17)31(10,11)12/h19-20,22-29,32H,18,21H2,1-17H3/b20-19-.
What are the key properties of (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-ol?
(Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-ol has a molecular weight of 559.04 g/mol, XLogP of 9.06, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methoxy-6,8,10,12-tetramethyltetradec-4-en-3-ol is sourced from PubChem (CID 58822540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).