oxolan-2-yl 6,6-dimethyl-5-oxooctanoate

C14H24O4 — CID 20611967

IUPACoxolan-2-yl 6,6-dimethyl-5-oxooctanoate
SMILESCCC(C)(C)C(=O)CCCC(=O)OC1CCCO1
InChIInChI=1S/C14H24O4/c1-4-14(2,3)11(15)7-5-8-12(16)18-13-9-6-10-17-13/h13H,4-10H2,1-3H3
InChIKeyVGVJVXIZSFYBHE-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.84
Rot. Bonds7

About oxolan-2-yl 6,6-dimethyl-5-oxooctanoate

oxolan-2-yl 6,6-dimethyl-5-oxooctanoate (PubChem CID 20611967) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is oxolan-2-yl 6,6-dimethyl-5-oxooctanoate.

Molecular Properties

Compound Nameoxolan-2-yl 6,6-dimethyl-5-oxooctanoate
PubChem CID20611967
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Nameoxolan-2-yl 6,6-dimethyl-5-oxooctanoate
SMILESCCC(C)(C)C(=O)CCCC(=O)OC1CCCO1
InChIInChI=1S/C14H24O4/c1-4-14(2,3)11(15)7-5-8-12(16)18-13-9-6-10-17-13/h13H,4-10H2,1-3H3
InChIKeyVGVJVXIZSFYBHE-UHFFFAOYSA-N
XLogP2.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl 6,6-dimethyl-5-oxooctanoate?
The IUPAC name of oxolan-2-yl 6,6-dimethyl-5-oxooctanoate (CID 20611967) is oxolan-2-yl 6,6-dimethyl-5-oxooctanoate.
What is the SMILES notation for oxolan-2-yl 6,6-dimethyl-5-oxooctanoate?
The canonical SMILES for oxolan-2-yl 6,6-dimethyl-5-oxooctanoate is CCC(C)(C)C(=O)CCCC(=O)OC1CCCO1.
What is the InChIKey of oxolan-2-yl 6,6-dimethyl-5-oxooctanoate?
The InChIKey is VGVJVXIZSFYBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-4-14(2,3)11(15)7-5-8-12(16)18-13-9-6-10-17-13/h13H,4-10H2,1-3H3.
What are the key properties of oxolan-2-yl 6,6-dimethyl-5-oxooctanoate?
oxolan-2-yl 6,6-dimethyl-5-oxooctanoate has a molecular weight of 256.34 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl 6,6-dimethyl-5-oxooctanoate is sourced from PubChem (CID 20611967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).