(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-en-1-ol

C16H34O2Si — CID 54597396

IUPAC(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-en-1-ol
SMILESCC[C@H](CO)C/C=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-8-15(12-17)11-9-10-14(2)13-18-19(6,7)16(3,4)5/h9-10,14-15,17H,8,11-13H2,1-7H3/b10-9+/t14-,15+/m1/s1
InChIKeyUJGKRVLDFZYNCJ-SPZIKGKASA-N
MW286.53 g/mol
LogP4.61
Rot. Bonds8

About (E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-en-1-ol

(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-en-1-ol (PubChem CID 54597396) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-en-1-ol.

Molecular Properties

Compound Name(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-en-1-ol
PubChem CID54597396
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-en-1-ol
SMILESCC[C@H](CO)C/C=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-8-15(12-17)11-9-10-14(2)13-18-19(6,7)16(3,4)5/h9-10,14-15,17H,8,11-13H2,1-7H3/b10-9+/t14-,15+/m1/s1
InChIKeyUJGKRVLDFZYNCJ-SPZIKGKASA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-en-1-ol?
The IUPAC name of (E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-en-1-ol (CID 54597396) is (E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-en-1-ol.
What is the SMILES notation for (E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-en-1-ol?
The canonical SMILES for (E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-en-1-ol is CC[C@H](CO)C/C=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-en-1-ol?
The InChIKey is UJGKRVLDFZYNCJ-SPZIKGKASA-N. The full InChI is InChI=1S/C16H34O2Si/c1-8-15(12-17)11-9-10-14(2)13-18-19(6,7)16(3,4)5/h9-10,14-15,17H,8,11-13H2,1-7H3/b10-9+/t14-,15+/m1/s1.
What are the key properties of (E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-en-1-ol?
(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-en-1-ol has a molecular weight of 286.53 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-en-1-ol is sourced from PubChem (CID 54597396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).