2,2-dimethyl-7-octyl-6,7-dihydro-3H-oxasilepine

C15H30OSi — CID 10753477

IUPAC2,2-dimethyl-7-octyl-6,7-dihydro-3H-oxasilepine
SMILESCCCCCCCCC1CC=CC[Si](C)(C)O1
InChIInChI=1S/C15H30OSi/c1-4-5-6-7-8-9-12-15-13-10-11-14-17(2,3)16-15/h10-11,15H,4-9,12-14H2,1-3H3
InChIKeyAZKZWFJJBMEFOT-UHFFFAOYSA-N
MW254.49 g/mol
LogP5.29
Rot. Bonds7

About 2,2-dimethyl-7-octyl-6,7-dihydro-3H-oxasilepine

2,2-dimethyl-7-octyl-6,7-dihydro-3H-oxasilepine (PubChem CID 10753477) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is 2,2-dimethyl-7-octyl-6,7-dihydro-3H-oxasilepine.

Molecular Properties

Compound Name2,2-dimethyl-7-octyl-6,7-dihydro-3H-oxasilepine
PubChem CID10753477
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Name2,2-dimethyl-7-octyl-6,7-dihydro-3H-oxasilepine
SMILESCCCCCCCCC1CC=CC[Si](C)(C)O1
InChIInChI=1S/C15H30OSi/c1-4-5-6-7-8-9-12-15-13-10-11-14-17(2,3)16-15/h10-11,15H,4-9,12-14H2,1-3H3
InChIKeyAZKZWFJJBMEFOT-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.49
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 12166838
Octadec-9Z-enol trimethylsilyl ether
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CID 554435
Cyclohept-2-en-1-yloxy(trimethyl)silane
CID 12504316
Linoleyl alcohol tms ether
CID 15635192
7,12-Bis(trimethylsiloxy)octadec-9-ene
CID 91341822
1-Fluorodec-2-en-5-yloxy(trimethyl)silane
CID 140328261
Trimethyl(1,1,1-trifluorodec-2-en-5-yloxy)silane
CID 140328262
1-Fluoronon-2-en-5-yloxy(trimethyl)silane
CID 140328265
Trimethyl(1,1,1-trifluoroundec-2-en-5-yloxy)silane
CID 140330488
1-Fluoroundec-2-en-5-yloxy(trimethyl)silane
CID 140330491
1,1-Difluoroundec-2-en-5-yloxy(trimethyl)silane
CID 140333759

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-octyl-6,7-dihydro-3H-oxasilepine?
The IUPAC name of 2,2-dimethyl-7-octyl-6,7-dihydro-3H-oxasilepine (CID 10753477) is 2,2-dimethyl-7-octyl-6,7-dihydro-3H-oxasilepine.
What is the SMILES notation for 2,2-dimethyl-7-octyl-6,7-dihydro-3H-oxasilepine?
The canonical SMILES for 2,2-dimethyl-7-octyl-6,7-dihydro-3H-oxasilepine is CCCCCCCCC1CC=CC[Si](C)(C)O1.
What is the InChIKey of 2,2-dimethyl-7-octyl-6,7-dihydro-3H-oxasilepine?
The InChIKey is AZKZWFJJBMEFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30OSi/c1-4-5-6-7-8-9-12-15-13-10-11-14-17(2,3)16-15/h10-11,15H,4-9,12-14H2,1-3H3.
What are the key properties of 2,2-dimethyl-7-octyl-6,7-dihydro-3H-oxasilepine?
2,2-dimethyl-7-octyl-6,7-dihydro-3H-oxasilepine has a molecular weight of 254.49 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-octyl-6,7-dihydro-3H-oxasilepine is sourced from PubChem (CID 10753477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).