(E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol

C23H32O3Si — CID 177462583

IUPAC(E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol
SMILESCC(C)(C)[Si](OC(/C=C/CO)CCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O3Si/c1-23(2,3)27(21-14-6-4-7-15-21,22-16-8-5-9-17-22)26-20(12-10-18-24)13-11-19-25/h4-10,12,14-17,20,24-25H,11,13,18-19H2,1-3H3/b12-10+
InChIKeyAFYAQLJBMDIZAX-ZRDIBKRKSA-N
MW384.59 g/mol
LogP3.25
Rot. Bonds9

About (E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol

(E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol (PubChem CID 177462583) has the molecular formula C23H32O3Si and a molecular weight of 384.59 g/mol. Its IUPAC name is (E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol.

Molecular Properties

Compound Name(E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol
PubChem CID177462583
Molecular FormulaC23H32O3Si
Molecular Weight384.59 g/mol
Exact Mass384.21
IUPAC Name(E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol
SMILESCC(C)(C)[Si](OC(/C=C/CO)CCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O3Si/c1-23(2,3)27(21-14-6-4-7-15-21,22-16-8-5-9-17-22)26-20(12-10-18-24)13-11-19-25/h4-10,12,14-17,20,24-25H,11,13,18-19H2,1-3H3/b12-10+
InChIKeyAFYAQLJBMDIZAX-ZRDIBKRKSA-N
XLogP3.25
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-7-hydroxyhept-5-enyl]carbamate
CID 101358762
tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane
CID 10719924
(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol
CID 153316559
methyl (5S,6E,8Z)-5-[tert-butyl(diphenyl)silyl]oxy-11-hydroxyundeca-6,8-dienoate
CID 101068041
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
(2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol
CID 99772953
[3-[3-[tert-butyl(diphenyl)silyl]oxyundec-1-enyl]phenyl]methanol
CID 54559685
tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane
CID 11364212
(Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol
CID 153316540
methyl (2E,6S,7Z)-6-[tert-butyl(diphenyl)silyl]oxy-10-trimethylsilyldeca-2,7-dienoate
CID 11145634
[(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 15364161
(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689

Frequently Asked Questions

What is the IUPAC name of (E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol?
The IUPAC name of (E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol (CID 177462583) is (E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol.
What is the SMILES notation for (E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol?
The canonical SMILES for (E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol is CC(C)(C)[Si](OC(/C=C/CO)CCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol?
The InChIKey is AFYAQLJBMDIZAX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C23H32O3Si/c1-23(2,3)27(21-14-6-4-7-15-21,22-16-8-5-9-17-22)26-20(12-10-18-24)13-11-19-25/h4-10,12,14-17,20,24-25H,11,13,18-19H2,1-3H3/b12-10+.
What are the key properties of (E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol?
(E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol has a molecular weight of 384.59 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol is sourced from PubChem (CID 177462583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).