1-[tert-butyl(dimethyl)silyl]oxy-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,6-dimethoxy-8-(2-methoxypropan-2-yloxy)-2-methyldodec-11-en-3-yn-5-ol

C33H66O7Si2 — CID 10746584

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,6-dimethoxy-8-(2-methoxypropan-2-yloxy)-2-methyldodec-11-en-3-yn-5-ol
SMILESC=CC(CCO[Si](C)(C)C(C)(C)C)CC(CC(OC)(OC)C(O)C#CC(C)CO[Si](C)(C)C(C)(C)C)OC(C)(C)OC
InChIInChI=1S/C33H66O7Si2/c1-18-27(21-22-38-41(14,15)30(3,4)5)23-28(40-32(9,10)35-11)24-33(36-12,37-13)29(34)20-19-26(2)25-39-42(16,17)31(6,7)8/h18,26-29,34H,1,21-25H2,2-17H3
InChIKeyAPTSSKRHYVGJTM-UHFFFAOYSA-N
MW631.06 g/mol
LogP7.76
Rot. Bonds18

About 1-[tert-butyl(dimethyl)silyl]oxy-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,6-dimethoxy-8-(2-methoxypropan-2-yloxy)-2-methyldodec-11-en-3-yn-5-ol

1-[tert-butyl(dimethyl)silyl]oxy-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,6-dimethoxy-8-(2-methoxypropan-2-yloxy)-2-methyldodec-11-en-3-yn-5-ol (PubChem CID 10746584) has the molecular formula C33H66O7Si2 and a molecular weight of 631.06 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,6-dimethoxy-8-(2-methoxypropan-2-yloxy)-2-methyldodec-11-en-3-yn-5-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,6-dimethoxy-8-(2-methoxypropan-2-yloxy)-2-methyldodec-11-en-3-yn-5-ol
PubChem CID10746584
Molecular FormulaC33H66O7Si2
Molecular Weight631.06 g/mol
Exact Mass630.43
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,6-dimethoxy-8-(2-methoxypropan-2-yloxy)-2-methyldodec-11-en-3-yn-5-ol
SMILESC=CC(CCO[Si](C)(C)C(C)(C)C)CC(CC(OC)(OC)C(O)C#CC(C)CO[Si](C)(C)C(C)(C)C)OC(C)(C)OC
InChIInChI=1S/C33H66O7Si2/c1-18-27(21-22-38-41(14,15)30(3,4)5)23-28(40-32(9,10)35-11)24-33(36-12,37-13)29(34)20-19-26(2)25-39-42(16,17)31(6,7)8/h18,26-29,34H,1,21-25H2,2-17H3
InChIKeyAPTSSKRHYVGJTM-UHFFFAOYSA-N
XLogP7.76
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.06
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,6-dimethoxy-8-(2-methoxypropan-2-yloxy)-2-methyldodec-11-en-3-yn-5-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,6-dimethoxy-8-(2-methoxypropan-2-yloxy)-2-methyldodec-11-en-3-yn-5-ol (CID 10746584) is 1-[tert-butyl(dimethyl)silyl]oxy-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,6-dimethoxy-8-(2-methoxypropan-2-yloxy)-2-methyldodec-11-en-3-yn-5-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,6-dimethoxy-8-(2-methoxypropan-2-yloxy)-2-methyldodec-11-en-3-yn-5-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,6-dimethoxy-8-(2-methoxypropan-2-yloxy)-2-methyldodec-11-en-3-yn-5-ol is C=CC(CCO[Si](C)(C)C(C)(C)C)CC(CC(OC)(OC)C(O)C#CC(C)CO[Si](C)(C)C(C)(C)C)OC(C)(C)OC.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,6-dimethoxy-8-(2-methoxypropan-2-yloxy)-2-methyldodec-11-en-3-yn-5-ol?
The InChIKey is APTSSKRHYVGJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H66O7Si2/c1-18-27(21-22-38-41(14,15)30(3,4)5)23-28(40-32(9,10)35-11)24-33(36-12,37-13)29(34)20-19-26(2)25-39-42(16,17)31(6,7)8/h18,26-29,34H,1,21-25H2,2-17H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,6-dimethoxy-8-(2-methoxypropan-2-yloxy)-2-methyldodec-11-en-3-yn-5-ol?
1-[tert-butyl(dimethyl)silyl]oxy-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,6-dimethoxy-8-(2-methoxypropan-2-yloxy)-2-methyldodec-11-en-3-yn-5-ol has a molecular weight of 631.06 g/mol, XLogP of 7.76, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-10-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,6-dimethoxy-8-(2-methoxypropan-2-yloxy)-2-methyldodec-11-en-3-yn-5-ol is sourced from PubChem (CID 10746584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).