6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)-3,5-dimethylhexa-3,4-dien-2-ol

C16H32O4Si — CID 134880407

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)-3,5-dimethylhexa-3,4-dien-2-ol
SMILESCOCOCC(O)C(C)=C=C(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-13(10-20-21(7,8)16(3,4)5)9-14(2)15(17)11-19-12-18-6/h15,17H,10-12H2,1-8H3
InChIKeyFSUSEOLYMSZYQP-UHFFFAOYSA-N
MW316.51 g/mol
LogP3.48
Rot. Bonds8

About 6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)-3,5-dimethylhexa-3,4-dien-2-ol

6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)-3,5-dimethylhexa-3,4-dien-2-ol (PubChem CID 134880407) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)-3,5-dimethylhexa-3,4-dien-2-ol.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)-3,5-dimethylhexa-3,4-dien-2-ol
PubChem CID134880407
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)-3,5-dimethylhexa-3,4-dien-2-ol
SMILESCOCOCC(O)C(C)=C=C(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-13(10-20-21(7,8)16(3,4)5)9-14(2)15(17)11-19-12-18-6/h15,17H,10-12H2,1-8H3
InChIKeyFSUSEOLYMSZYQP-UHFFFAOYSA-N
XLogP3.48
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)-3,5-dimethylhexa-3,4-dien-2-ol?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)-3,5-dimethylhexa-3,4-dien-2-ol (CID 134880407) is 6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)-3,5-dimethylhexa-3,4-dien-2-ol.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)-3,5-dimethylhexa-3,4-dien-2-ol?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)-3,5-dimethylhexa-3,4-dien-2-ol is COCOCC(O)C(C)=C=C(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)-3,5-dimethylhexa-3,4-dien-2-ol?
The InChIKey is FSUSEOLYMSZYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-13(10-20-21(7,8)16(3,4)5)9-14(2)15(17)11-19-12-18-6/h15,17H,10-12H2,1-8H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)-3,5-dimethylhexa-3,4-dien-2-ol?
6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)-3,5-dimethylhexa-3,4-dien-2-ol has a molecular weight of 316.51 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)-3,5-dimethylhexa-3,4-dien-2-ol is sourced from PubChem (CID 134880407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).