7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol

C23H30O2Si — CID 132916775

IUPAC7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
SMILESCC(C)(C)[Si](OCCC#CCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O2Si/c1-23(2,3)26(21-15-9-7-10-16-21,22-17-11-8-12-18-22)25-20-14-6-4-5-13-19-24/h7-12,15-18,24H,5,13-14,19-20H2,1-3H3
InChIKeyDFUJULQPIQNYSR-UHFFFAOYSA-N
MW366.58 g/mol
LogP3.73
Rot. Bonds7

About 7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol

7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol (PubChem CID 132916775) has the molecular formula C23H30O2Si and a molecular weight of 366.58 g/mol. Its IUPAC name is 7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol.

Molecular Properties

Compound Name7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
PubChem CID132916775
Molecular FormulaC23H30O2Si
Molecular Weight366.58 g/mol
Exact Mass366.20
IUPAC Name7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
SMILESCC(C)(C)[Si](OCCC#CCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O2Si/c1-23(2,3)26(21-15-9-7-10-16-21,22-17-11-8-12-18-22)25-20-14-6-4-5-13-19-24/h7-12,15-18,24H,5,13-14,19-20H2,1-3H3
InChIKeyDFUJULQPIQNYSR-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.58
LogP ≤ 53.73
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-hex-3-ynoxy-diphenylsilane
CID 10860665
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol
CID 160529353
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane
CID 11082053
3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol
CID 154423315
methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate
CID 10926656
(17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol
CID 153316530
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
6-[tert-butyl(diphenyl)silyl]oxy-1,1,1-trifluorohex-3-yn-2-one
CID 10644927
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol?
The IUPAC name of 7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol (CID 132916775) is 7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol.
What is the SMILES notation for 7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol?
The canonical SMILES for 7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol is CC(C)(C)[Si](OCCC#CCCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol?
The InChIKey is DFUJULQPIQNYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2Si/c1-23(2,3)26(21-15-9-7-10-16-21,22-17-11-8-12-18-22)25-20-14-6-4-5-13-19-24/h7-12,15-18,24H,5,13-14,19-20H2,1-3H3.
What are the key properties of 7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol?
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol has a molecular weight of 366.58 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol is sourced from PubChem (CID 132916775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).