(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol

C14H28O2Si — CID 102406721

IUPAC(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol
SMILESC=C(/C=C/CCO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-13(9-7-8-11-15)10-12-16-17(5,6)14(2,3)4/h7,9,15H,1,8,10-12H2,2-6H3/b9-7+
InChIKeyKZAOPHWQKILFER-VQHVLOKHSA-N
MW256.46 g/mol
LogP3.89
Rot. Bonds7

About (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol

(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol (PubChem CID 102406721) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol.

Molecular Properties

Compound Name(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol
PubChem CID102406721
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol
SMILESC=C(/C=C/CCO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-13(9-7-8-11-15)10-12-16-17(5,6)14(2,3)4/h7,9,15H,1,8,10-12H2,2-6H3/b9-7+
InChIKeyKZAOPHWQKILFER-VQHVLOKHSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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'}

Analyze (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol?
The IUPAC name of (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol (CID 102406721) is (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol.
What is the SMILES notation for (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol?
The canonical SMILES for (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol is C=C(/C=C/CCO)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol?
The InChIKey is KZAOPHWQKILFER-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-13(9-7-8-11-15)10-12-16-17(5,6)14(2,3)4/h7,9,15H,1,8,10-12H2,2-6H3/b9-7+.
What are the key properties of (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol?
(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol has a molecular weight of 256.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol is sourced from PubChem (CID 102406721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).