2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-2,3-dihydropyran-4-one

C16H30O3Si — CID 122376005

IUPAC2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-2,3-dihydropyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCCCCCC1CC(=O)C=CO1
InChIInChI=1S/C16H30O3Si/c1-16(2,3)20(4,5)19-11-8-6-7-9-15-13-14(17)10-12-18-15/h10,12,15H,6-9,11,13H2,1-5H3
InChIKeyPQWCQPOYCAQBRQ-UHFFFAOYSA-N
MW298.50 g/mol
LogP4.44
Rot. Bonds7

About 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-2,3-dihydropyran-4-one

2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-2,3-dihydropyran-4-one (PubChem CID 122376005) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-2,3-dihydropyran-4-one
PubChem CID122376005
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-2,3-dihydropyran-4-one
SMILESCC(C)(C)[Si](C)(C)OCCCCCC1CC(=O)C=CO1
InChIInChI=1S/C16H30O3Si/c1-16(2,3)20(4,5)19-11-8-6-7-9-15-13-14(17)10-12-18-15/h10,12,15H,6-9,11,13H2,1-5H3
InChIKeyPQWCQPOYCAQBRQ-UHFFFAOYSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2R)-2-octyl-2,3-dihydropyran-4-one
CID 15204010
(2S)-2-heptyl-2,3-dihydropyran-4-one
CID 57164485
6-[Tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-3,9-dione
CID 147337646
6-Triethylsilyloxytridec-1-en-3-one
CID 163288977
(E,5R)-1-methoxy-5-trimethylsilyloxytridec-1-en-3-one
CID 10245137
(E,5S)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one
CID 10334096
(2S)-2-octyl-2,3-dihydropyran-4-one
CID 10465725
(E,5R)-5-cyclohexyl-1-methoxy-5-trimethylsilyloxypent-1-en-3-one
CID 10902154
(2S)-2-hexyl-2,3-dihydropyran-4-one
CID 11535681
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
CID 11777196
(2R)-2-heptyl-2,3-dihydropyran-4-one
CID 15444405
(2R)-2-Hexyl-2,3-dihydro-4H-pyran-4-one
CID 16093987

Frequently Asked Questions

What is the IUPAC name of 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-2,3-dihydropyran-4-one?
The IUPAC name of 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-2,3-dihydropyran-4-one (CID 122376005) is 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-2,3-dihydropyran-4-one?
The canonical SMILES for 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-2,3-dihydropyran-4-one is CC(C)(C)[Si](C)(C)OCCCCCC1CC(=O)C=CO1.
What is the InChIKey of 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-2,3-dihydropyran-4-one?
The InChIKey is PQWCQPOYCAQBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-16(2,3)20(4,5)19-11-8-6-7-9-15-13-14(17)10-12-18-15/h10,12,15H,6-9,11,13H2,1-5H3.
What are the key properties of 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-2,3-dihydropyran-4-one?
2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-2,3-dihydropyran-4-one has a molecular weight of 298.50 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-2,3-dihydropyran-4-one is sourced from PubChem (CID 122376005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).