(Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethyltetradec-10-en-2-ol

C30H64O3Si2 — CID 58822514

IUPAC(Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethyltetradec-10-en-2-ol
SMILESCCC/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)O
InChIInChI=1S/C30H64O3Si2/c1-17-18-19-20-22(2)27(32-34(13,14)29(7,8)9)23(3)21-24(4)28(25(5)26(6)31)33-35(15,16)30(10,11)12/h19-20,22-28,31H,17-18,21H2,1-16H3/b20-19-
InChIKeyVQIKHSDQQILFGN-VXPUYCOJSA-N
MW529.01 g/mol
LogP9.44
Rot. Bonds14

About (Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethyltetradec-10-en-2-ol

(Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethyltetradec-10-en-2-ol (PubChem CID 58822514) has the molecular formula C30H64O3Si2 and a molecular weight of 529.01 g/mol. Its IUPAC name is (Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethyltetradec-10-en-2-ol.

Molecular Properties

Compound Name(Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethyltetradec-10-en-2-ol
PubChem CID58822514
Molecular FormulaC30H64O3Si2
Molecular Weight529.01 g/mol
Exact Mass528.44
IUPAC Name(Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethyltetradec-10-en-2-ol
SMILESCCC/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)O
InChIInChI=1S/C30H64O3Si2/c1-17-18-19-20-22(2)27(32-34(13,14)29(7,8)9)23(3)21-24(4)28(25(5)26(6)31)33-35(15,16)30(10,11)12/h19-20,22-28,31H,17-18,21H2,1-16H3/b20-19-
InChIKeyVQIKHSDQQILFGN-VXPUYCOJSA-N
XLogP9.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.01
LogP ≤ 59.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethyltetradec-10-en-2-ol?
The IUPAC name of (Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethyltetradec-10-en-2-ol (CID 58822514) is (Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethyltetradec-10-en-2-ol.
What is the SMILES notation for (Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethyltetradec-10-en-2-ol?
The canonical SMILES for (Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethyltetradec-10-en-2-ol is CCC/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)O.
What is the InChIKey of (Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethyltetradec-10-en-2-ol?
The InChIKey is VQIKHSDQQILFGN-VXPUYCOJSA-N. The full InChI is InChI=1S/C30H64O3Si2/c1-17-18-19-20-22(2)27(32-34(13,14)29(7,8)9)23(3)21-24(4)28(25(5)26(6)31)33-35(15,16)30(10,11)12/h19-20,22-28,31H,17-18,21H2,1-16H3/b20-19-.
What are the key properties of (Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethyltetradec-10-en-2-ol?
(Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethyltetradec-10-en-2-ol has a molecular weight of 529.01 g/mol, XLogP of 9.44, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethyltetradec-10-en-2-ol is sourced from PubChem (CID 58822514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).