(E,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-4-en-1-ol

C15H32O2Si — CID 135008815

IUPAC(E,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-4-en-1-ol
SMILESC/C(=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C)CCCO
InChIInChI=1S/C15H32O2Si/c1-13(9-8-10-16)11-14(2)12-17-18(6,7)15(3,4)5/h11,14,16H,8-10,12H2,1-7H3/b13-11+/t14-/m1/s1
InChIKeyFLLFEJYFVSLSSK-YPDDLIOESA-N
MW272.50 g/mol
LogP4.36
Rot. Bonds7

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

(E,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-4-en-1-ol (PubChem CID 135008815) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (E,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-4-en-1-ol.

Molecular Properties

Compound Name(E,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-4-en-1-ol
PubChem CID135008815
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(E,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-4-en-1-ol
SMILESC/C(=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C)CCCO
InChIInChI=1S/C15H32O2Si/c1-13(9-8-10-16)11-14(2)12-17-18(6,7)15(3,4)5/h11,14,16H,8-10,12H2,1-7H3/b13-11+/t14-/m1/s1
InChIKeyFLLFEJYFVSLSSK-YPDDLIOESA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.36
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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Related Compounds

(E)-3-methyl-6-triethylsilyloxyhex-2-en-1-ol
CID 101521913
(E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylidenenon-4-en-1-ol
CID 53341832
(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-en-1-ol
CID 54597396
(3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-ol
CID 102108791
(E)-8-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol
CID 102406717
(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol
CID 102406721
(Z,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-3-en-1-ol
CID 134966994
(Z)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylidenehept-3-en-1-ol
CID 134982484
(Z)-8-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol
CID 134993647
(5Z,8E,10Z,13E)-10-methyl-8-(trimethylsilylmethylidene)pentadeca-5,10,13-trien-1-ol
CID 135008828
(E,2R,6S)-2,4-dimethyl-6-tri(propan-2-yl)silyloxynon-3-en-1-ol
CID 135014071
(E,4S,8R)-6,8-dimethyl-9-tri(propan-2-yl)silyloxynon-6-en-4-ol
CID 135014074

Frequently Asked Questions

What is the IUPAC name of (E,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-4-en-1-ol?
The IUPAC name of (E,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-4-en-1-ol (CID 135008815) is (E,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-4-en-1-ol.
What is the SMILES notation for (E,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-4-en-1-ol?
The canonical SMILES for (E,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-4-en-1-ol is C/C(=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C)CCCO.
What is the InChIKey of (E,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-4-en-1-ol?
The InChIKey is FLLFEJYFVSLSSK-YPDDLIOESA-N. The full InChI is InChI=1S/C15H32O2Si/c1-13(9-8-10-16)11-14(2)12-17-18(6,7)15(3,4)5/h11,14,16H,8-10,12H2,1-7H3/b13-11+/t14-/m1/s1.
What are the key properties of (E,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-4-en-1-ol?
(E,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-4-en-1-ol has a molecular weight of 272.50 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-4-en-1-ol is sourced from PubChem (CID 135008815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).