(Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-en-1-ol

C29H62O4Si2 — CID 58762115

IUPAC(Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-en-1-ol
SMILESCOC(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\CO
InChIInChI=1S/C29H62O4Si2/c1-21(18-17-19-30)26(32-34(13,14)28(6,7)8)22(2)20-23(3)27(24(4)25(5)31-12)33-35(15,16)29(9,10)11/h17-18,21-27,30H,19-20H2,1-16H3/b18-17-
InChIKeyBZDSKDQJDJBVOH-ZCXUNETKSA-N
MW530.98 g/mol
LogP8.29
Rot. Bonds14

About (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-en-1-ol

(Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-en-1-ol (PubChem CID 58762115) has the molecular formula C29H62O4Si2 and a molecular weight of 530.98 g/mol. Its IUPAC name is (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-en-1-ol.

Molecular Properties

Compound Name(Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-en-1-ol
PubChem CID58762115
Molecular FormulaC29H62O4Si2
Molecular Weight530.98 g/mol
Exact Mass530.42
IUPAC Name(Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-en-1-ol
SMILESCOC(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\CO
InChIInChI=1S/C29H62O4Si2/c1-21(18-17-19-30)26(32-34(13,14)28(6,7)8)22(2)20-23(3)27(24(4)25(5)31-12)33-35(15,16)29(9,10)11/h17-18,21-27,30H,19-20H2,1-16H3/b18-17-
InChIKeyBZDSKDQJDJBVOH-ZCXUNETKSA-N
XLogP8.29
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.98
LogP ≤ 58.29
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)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-en-1-ol?
The IUPAC name of (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-en-1-ol (CID 58762115) is (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-en-1-ol.
What is the SMILES notation for (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-en-1-ol?
The canonical SMILES for (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-en-1-ol is COC(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\CO.
What is the InChIKey of (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-en-1-ol?
The InChIKey is BZDSKDQJDJBVOH-ZCXUNETKSA-N. The full InChI is InChI=1S/C29H62O4Si2/c1-21(18-17-19-30)26(32-34(13,14)28(6,7)8)22(2)20-23(3)27(24(4)25(5)31-12)33-35(15,16)29(9,10)11/h17-18,21-27,30H,19-20H2,1-16H3/b18-17-.
What are the key properties of (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-en-1-ol?
(Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-en-1-ol has a molecular weight of 530.98 g/mol, XLogP of 8.29, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-methoxy-4,6,8,10-tetramethyldodec-2-en-1-ol is sourced from PubChem (CID 58762115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).