methyl 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetate

C11H18O4 — CID 12652455

IUPACmethyl 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetate
SMILESCOC(=O)CC1C(=O)OC(C)(C)C1(C)C
InChIInChI=1S/C11H18O4/c1-10(2)7(6-8(12)14-5)9(13)15-11(10,3)4/h7H,6H2,1-5H3
InChIKeyWOLQSVPKMNHYKT-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.53
Rot. Bonds2

About methyl 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetate

methyl 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetate (PubChem CID 12652455) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetate
PubChem CID12652455
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetate
SMILESCOC(=O)CC1C(=O)OC(C)(C)C1(C)C
InChIInChI=1S/C11H18O4/c1-10(2)7(6-8(12)14-5)9(13)15-11(10,3)4/h7H,6H2,1-5H3
InChIKeyWOLQSVPKMNHYKT-UHFFFAOYSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5,5-Dimethyl-2-oxooxolan-3-yl)acetic acid
CID 3142067
Ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate
CID 75478875
2-[4-(2-Carboxypropan-2-yl)-5-(fluoromethyl)oxolan-3-yl]-2-methylpropanoic acid
CID 175787214
2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]acetic acid
CID 740831
2-Ethoxycarbonyl-2-ethoxycarbonylmethyl-4-methyl-4-pentanolide
CID 12008546
2-(4,4,5,5-Tetramethyl-2-oxooxolan-3-yl)acetic acid
CID 12652456
Methyl 3-(2,2-dimethyl-5-oxooxolan-3-yl)propanoate
CID 71521826
Methyl 5-methoxy-4,4,5-trimethylhexanoate
CID 85869559
3-(5,5-Dimethyl-2-oxooxolan-3-yl)-5,5-dimethyloxolan-2-one
CID 102100883
Methyl 2-(5,5-dimethyl-2-oxooxolan-3-yl)acetate
CID 13758796
3-(2-Methoxypropyl)-4-methyloxolane-2,5-dione
CID 21351291
Methyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-4-(2-methyl-5-oxooxolan-2-yl)butanoate
CID 22982308

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetate?
The IUPAC name of methyl 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetate (CID 12652455) is methyl 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetate.
What is the SMILES notation for methyl 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetate?
The canonical SMILES for methyl 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetate is COC(=O)CC1C(=O)OC(C)(C)C1(C)C.
What is the InChIKey of methyl 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetate?
The InChIKey is WOLQSVPKMNHYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-10(2)7(6-8(12)14-5)9(13)15-11(10,3)4/h7H,6H2,1-5H3.
What are the key properties of methyl 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetate?
methyl 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetate has a molecular weight of 214.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetate is sourced from PubChem (CID 12652455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).