(3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhepta-3,5-dien-1-ol

C14H28O2Si — CID 102108789

IUPAC(3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhepta-3,5-dien-1-ol
SMILESC/C(=C\C=C\CCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-13(10-8-7-9-11-15)12-16-17(5,6)14(2,3)4/h7-8,10,15H,9,11-12H2,1-6H3/b8-7+,13-10+
InChIKeyAPEJDINZUFCCTK-AWGJLQHSSA-N
MW256.46 g/mol
LogP3.89
Rot. Bonds6

About (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhepta-3,5-dien-1-ol

(3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhepta-3,5-dien-1-ol (PubChem CID 102108789) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhepta-3,5-dien-1-ol.

Molecular Properties

Compound Name(3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhepta-3,5-dien-1-ol
PubChem CID102108789
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhepta-3,5-dien-1-ol
SMILESC/C(=C\C=C\CCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-13(10-8-7-9-11-15)12-16-17(5,6)14(2,3)4/h7-8,10,15H,9,11-12H2,1-6H3/b8-7+,13-10+
InChIKeyAPEJDINZUFCCTK-AWGJLQHSSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhepta-3,5-dien-1-ol?
The IUPAC name of (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhepta-3,5-dien-1-ol (CID 102108789) is (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhepta-3,5-dien-1-ol.
What is the SMILES notation for (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhepta-3,5-dien-1-ol?
The canonical SMILES for (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhepta-3,5-dien-1-ol is C/C(=C\C=C\CCO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhepta-3,5-dien-1-ol?
The InChIKey is APEJDINZUFCCTK-AWGJLQHSSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-13(10-8-7-9-11-15)12-16-17(5,6)14(2,3)4/h7-8,10,15H,9,11-12H2,1-6H3/b8-7+,13-10+.
What are the key properties of (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhepta-3,5-dien-1-ol?
(3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhepta-3,5-dien-1-ol has a molecular weight of 256.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhepta-3,5-dien-1-ol is sourced from PubChem (CID 102108789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).