7-[tert-butyl(dimethyl)silyl]oxyhepta-2,3-dien-1-ol

C13H26O2Si — CID 88697890

IUPAC7-[tert-butyl(dimethyl)silyl]oxyhepta-2,3-dien-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCC=C=CCO
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h6,9,14H,8,10-12H2,1-5H3
InChIKeyWHOHXVXVIMIXGO-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.49
Rot. Bonds6

About 7-[tert-butyl(dimethyl)silyl]oxyhepta-2,3-dien-1-ol

7-[tert-butyl(dimethyl)silyl]oxyhepta-2,3-dien-1-ol (PubChem CID 88697890) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxyhepta-2,3-dien-1-ol.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxyhepta-2,3-dien-1-ol
PubChem CID88697890
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxyhepta-2,3-dien-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCC=C=CCO
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h6,9,14H,8,10-12H2,1-5H3
InChIKeyWHOHXVXVIMIXGO-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;6-iodohexa-2,3-dien-1-ol
CID 88698590
tert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane
CID 23253894
tert-butyl-(8,8-difluoroocta-6,7-dienoxy)-dimethylsilane
CID 162623288
tert-butyl-dimethyl-(5-trimethylsilylpenta-3,4-dienoxy)silane
CID 15363417
tert-butyl-(8-deuteriododeca-6,7-dienoxy)-dimethylsilane
CID 134976577
tert-butyl-[(E)-hex-4-enoxy]-dimethylsilane
CID 15936622
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-1-ol
CID 74029317

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyhepta-2,3-dien-1-ol?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyhepta-2,3-dien-1-ol (CID 88697890) is 7-[tert-butyl(dimethyl)silyl]oxyhepta-2,3-dien-1-ol.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxyhepta-2,3-dien-1-ol?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxyhepta-2,3-dien-1-ol is CC(C)(C)[Si](C)(C)OCCCC=C=CCO.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxyhepta-2,3-dien-1-ol?
The InChIKey is WHOHXVXVIMIXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h6,9,14H,8,10-12H2,1-5H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxyhepta-2,3-dien-1-ol?
7-[tert-butyl(dimethyl)silyl]oxyhepta-2,3-dien-1-ol has a molecular weight of 242.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxyhepta-2,3-dien-1-ol is sourced from PubChem (CID 88697890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).