tert-butyl-[[(7Z,9R,10S,11S,12E)-11-methoxy-7,9-dimethyl-1,5-dioxacyclotetradeca-7,12-dien-10-yl]oxy]-dimethylsilane

C21H40O4Si — CID 71236126

IUPACtert-butyl-[[(7Z,9R,10S,11S,12E)-11-methoxy-7,9-dimethyl-1,5-dioxacyclotetradeca-7,12-dien-10-yl]oxy]-dimethylsilane
SMILESCO[C@H]1/C=C/COCCCOC/C(C)=C\[C@@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O4Si/c1-17-15-18(2)20(25-26(7,8)21(3,4)5)19(22-6)11-9-12-23-13-10-14-24-16-17/h9,11,15,18-20H,10,12-14,16H2,1-8H3/b11-9+,17-15-/t18-,19+,20+/m1/s1
InChIKeyMCZSUIJLYUIEGK-AXFCYUAVSA-N
MW384.63 g/mol
LogP4.97
Rot. Bonds3

About tert-butyl-[[(7Z,9R,10S,11S,12E)-11-methoxy-7,9-dimethyl-1,5-dioxacyclotetradeca-7,12-dien-10-yl]oxy]-dimethylsilane

tert-butyl-[[(7Z,9R,10S,11S,12E)-11-methoxy-7,9-dimethyl-1,5-dioxacyclotetradeca-7,12-dien-10-yl]oxy]-dimethylsilane (PubChem CID 71236126) has the molecular formula C21H40O4Si and a molecular weight of 384.63 g/mol. Its IUPAC name is tert-butyl-[[(7Z,9R,10S,11S,12E)-11-methoxy-7,9-dimethyl-1,5-dioxacyclotetradeca-7,12-dien-10-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(7Z,9R,10S,11S,12E)-11-methoxy-7,9-dimethyl-1,5-dioxacyclotetradeca-7,12-dien-10-yl]oxy]-dimethylsilane
PubChem CID71236126
Molecular FormulaC21H40O4Si
Molecular Weight384.63 g/mol
Exact Mass384.27
IUPAC Nametert-butyl-[[(7Z,9R,10S,11S,12E)-11-methoxy-7,9-dimethyl-1,5-dioxacyclotetradeca-7,12-dien-10-yl]oxy]-dimethylsilane
SMILESCO[C@H]1/C=C/COCCCOC/C(C)=C\[C@@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O4Si/c1-17-15-18(2)20(25-26(7,8)21(3,4)5)19(22-6)11-9-12-23-13-10-14-24-16-17/h9,11,15,18-20H,10,12-14,16H2,1-8H3/b11-9+,17-15-/t18-,19+,20+/m1/s1
InChIKeyMCZSUIJLYUIEGK-AXFCYUAVSA-N
XLogP4.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.63
LogP ≤ 54.97
H-Bond Donors ≤ 50
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 tert-butyl-[[(7Z,9R,10S,11S,12E)-11-methoxy-7,9-dimethyl-1,5-dioxacyclotetradeca-7,12-dien-10-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(7Z,9R,10S,11S,12E)-11-methoxy-7,9-dimethyl-1,5-dioxacyclotetradeca-7,12-dien-10-yl]oxy]-dimethylsilane (CID 71236126) is tert-butyl-[[(7Z,9R,10S,11S,12E)-11-methoxy-7,9-dimethyl-1,5-dioxacyclotetradeca-7,12-dien-10-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(7Z,9R,10S,11S,12E)-11-methoxy-7,9-dimethyl-1,5-dioxacyclotetradeca-7,12-dien-10-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(7Z,9R,10S,11S,12E)-11-methoxy-7,9-dimethyl-1,5-dioxacyclotetradeca-7,12-dien-10-yl]oxy]-dimethylsilane is CO[C@H]1/C=C/COCCCOC/C(C)=C\[C@@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(7Z,9R,10S,11S,12E)-11-methoxy-7,9-dimethyl-1,5-dioxacyclotetradeca-7,12-dien-10-yl]oxy]-dimethylsilane?
The InChIKey is MCZSUIJLYUIEGK-AXFCYUAVSA-N. The full InChI is InChI=1S/C21H40O4Si/c1-17-15-18(2)20(25-26(7,8)21(3,4)5)19(22-6)11-9-12-23-13-10-14-24-16-17/h9,11,15,18-20H,10,12-14,16H2,1-8H3/b11-9+,17-15-/t18-,19+,20+/m1/s1.
What are the key properties of tert-butyl-[[(7Z,9R,10S,11S,12E)-11-methoxy-7,9-dimethyl-1,5-dioxacyclotetradeca-7,12-dien-10-yl]oxy]-dimethylsilane?
tert-butyl-[[(7Z,9R,10S,11S,12E)-11-methoxy-7,9-dimethyl-1,5-dioxacyclotetradeca-7,12-dien-10-yl]oxy]-dimethylsilane has a molecular weight of 384.63 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(7Z,9R,10S,11S,12E)-11-methoxy-7,9-dimethyl-1,5-dioxacyclotetradeca-7,12-dien-10-yl]oxy]-dimethylsilane is sourced from PubChem (CID 71236126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).