6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol

C24H34O2Si — CID 70299743

IUPAC6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol
SMILESCC(=CCCC(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO
InChIInChI=1S/C24H34O2Si/c1-20(19-25)13-12-14-21(2)26-27(24(3,4)5,22-15-8-6-9-16-22)23-17-10-7-11-18-23/h6-11,13,15-18,21,25H,12,14,19H2,1-5H3
InChIKeyJYECGTOUUHDRMM-UHFFFAOYSA-N
MW382.62 g/mol
LogP4.67
Rot. Bonds8

About 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol

6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol (PubChem CID 70299743) has the molecular formula C24H34O2Si and a molecular weight of 382.62 g/mol. Its IUPAC name is 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol.

Molecular Properties

Compound Name6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol
PubChem CID70299743
Molecular FormulaC24H34O2Si
Molecular Weight382.62 g/mol
Exact Mass382.23
IUPAC Name6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol
SMILESCC(=CCCC(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO
InChIInChI=1S/C24H34O2Si/c1-20(19-25)13-12-14-21(2)26-27(24(3,4)5,22-15-8-6-9-16-22)23-17-10-7-11-18-23/h6-11,13,15-18,21,25H,12,14,19H2,1-5H3
InChIKeyJYECGTOUUHDRMM-UHFFFAOYSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.62
LogP ≤ 54.67
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,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol
CID 16754110
(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
CID 134941259
(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol
CID 153316559
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231
(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
CID 56971432
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486
(Z,5R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxy-2,6-dimethyloct-2-ene-1,8-diol
CID 11398826
tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane
CID 11988597
(10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol
CID 134834787
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol?
The IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol (CID 70299743) is 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol.
What is the SMILES notation for 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol?
The canonical SMILES for 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol is CC(=CCCC(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO.
What is the InChIKey of 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol?
The InChIKey is JYECGTOUUHDRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2Si/c1-20(19-25)13-12-14-21(2)26-27(24(3,4)5,22-15-8-6-9-16-22)23-17-10-7-11-18-23/h6-11,13,15-18,21,25H,12,14,19H2,1-5H3.
What are the key properties of 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol?
6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol has a molecular weight of 382.62 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol is sourced from PubChem (CID 70299743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).