1-(oxasilinan-2-yl)butan-1-one

C8H16O2Si — CID 173082138

IUPAC1-(oxasilinan-2-yl)butan-1-one
SMILESCCCC(=O)[SiH]1CCCCO1
InChIInChI=1S/C8H16O2Si/c1-2-5-8(9)11-7-4-3-6-10-11/h11H,2-7H2,1H3
InChIKeyBPVLDHSMNJILKI-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.43
Rot. Bonds3

About 1-(oxasilinan-2-yl)butan-1-one

1-(oxasilinan-2-yl)butan-1-one (PubChem CID 173082138) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is 1-(oxasilinan-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(oxasilinan-2-yl)butan-1-one
PubChem CID173082138
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name1-(oxasilinan-2-yl)butan-1-one
SMILESCCCC(=O)[SiH]1CCCCO1
InChIInChI=1S/C8H16O2Si/c1-2-5-8(9)11-7-4-3-6-10-11/h11H,2-7H2,1H3
InChIKeyBPVLDHSMNJILKI-UHFFFAOYSA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(oxasilinan-2-yl)pentan-1-one
CID 173082144
1-(oxasilinan-2-yl)octan-1-one
CID 173082141
1-(oxasilinan-2-yl)propan-1-one
CID 173082161
2-pent-1-en-2-yloxasilinane
CID 173042713
oxolane;pentan-2-one
CID 174917924
2-(2-chlorobutan-2-yl)oxasilinane
CID 173289645
2-propan-2-yloxasilinane;tetradecanoic acid
CID 173217204
CID 174954011
CID 174954011
oxetane;pentan-2-one
CID 159710624
6-(oxasilinan-2-yl)-6-propoxyhex-1-en-3-one
CID 173037940
3-butanoyloxepan-2-one
CID 139651145
1-(oxasilinan-2-ylsulfanyl)propyl 2-methylprop-2-enoate
CID 175085051

Frequently Asked Questions

What is the IUPAC name of 1-(oxasilinan-2-yl)butan-1-one?
The IUPAC name of 1-(oxasilinan-2-yl)butan-1-one (CID 173082138) is 1-(oxasilinan-2-yl)butan-1-one.
What is the SMILES notation for 1-(oxasilinan-2-yl)butan-1-one?
The canonical SMILES for 1-(oxasilinan-2-yl)butan-1-one is CCCC(=O)[SiH]1CCCCO1.
What is the InChIKey of 1-(oxasilinan-2-yl)butan-1-one?
The InChIKey is BPVLDHSMNJILKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-2-5-8(9)11-7-4-3-6-10-11/h11H,2-7H2,1H3.
What are the key properties of 1-(oxasilinan-2-yl)butan-1-one?
1-(oxasilinan-2-yl)butan-1-one has a molecular weight of 172.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxasilinan-2-yl)butan-1-one is sourced from PubChem (CID 173082138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).