oxan-2-yl 2,2-dimethylpropanoate

C10H18O3 — CID 10679121

IUPACoxan-2-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CCCCO1
InChIInChI=1S/C10H18O3/c1-10(2,3)9(11)13-8-6-4-5-7-12-8/h8H,4-7H2,1-3H3
InChIKeyVWBGWIZAILAYAF-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.10
Rot. Bonds1

About oxan-2-yl 2,2-dimethylpropanoate

oxan-2-yl 2,2-dimethylpropanoate (PubChem CID 10679121) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is oxan-2-yl 2,2-dimethylpropanoate.

Molecular Properties

Compound Nameoxan-2-yl 2,2-dimethylpropanoate
PubChem CID10679121
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameoxan-2-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CCCCO1
InChIInChI=1S/C10H18O3/c1-10(2,3)9(11)13-8-6-4-5-7-12-8/h8H,4-7H2,1-3H3
InChIKeyVWBGWIZAILAYAF-UHFFFAOYSA-N
XLogP2.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-2-yl 2-bromo-2-methylpropanoate
CID 12570457
oxolan-2-yl 3,3,3-trifluoro-2,2-dimethylpropanoate
CID 90142707
oxan-2-yl 2-methylbut-2-enoate
CID 68809756
2-hydroxyethyl 2,2-dimethylbutanoate;oxan-2-yl 2,2-dimethylbutanoate
CID 158680626
2,2-dimethylpropanoyl oxane-2-carboxylate
CID 175186788
oxan-2-yl butanoate
CID 14932559
tris(oxan-2-yl) benzene-1,3,5-tricarboxylate
CID 139603181
(2,6-dimethylcyclohexyl) oxan-2-yl carbonate
CID 173476655
(Z)-4-(oxan-2-yloxy)-4-oxobut-2-enoate
CID 86745284
oxan-2-yl 2-tert-butylpentanoate
CID 123458101
oxolan-2-yl 2-methyl-2-(methylamino)pentanoate
CID 170233945
oxan-2-yl 4-methylpent-4-enoate
CID 11008908

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 2,2-dimethylpropanoate?
The IUPAC name of oxan-2-yl 2,2-dimethylpropanoate (CID 10679121) is oxan-2-yl 2,2-dimethylpropanoate.
What is the SMILES notation for oxan-2-yl 2,2-dimethylpropanoate?
The canonical SMILES for oxan-2-yl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1CCCCO1.
What is the InChIKey of oxan-2-yl 2,2-dimethylpropanoate?
The InChIKey is VWBGWIZAILAYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(2,3)9(11)13-8-6-4-5-7-12-8/h8H,4-7H2,1-3H3.
What are the key properties of oxan-2-yl 2,2-dimethylpropanoate?
oxan-2-yl 2,2-dimethylpropanoate has a molecular weight of 186.25 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl 2,2-dimethylpropanoate is sourced from PubChem (CID 10679121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).