2-methylpropyl 2-(oxolan-2-ylmethoxy)acetate

C11H20O4 — CID 91155990

IUPAC2-methylpropyl 2-(oxolan-2-ylmethoxy)acetate
SMILESCC(C)COC(=O)COCC1CCCO1
InChIInChI=1S/C11H20O4/c1-9(2)6-15-11(12)8-13-7-10-4-3-5-14-10/h9-10H,3-8H2,1-2H3
InChIKeyPLVQSDHECFBGAV-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.38
Rot. Bonds6

About 2-methylpropyl 2-(oxolan-2-ylmethoxy)acetate

2-methylpropyl 2-(oxolan-2-ylmethoxy)acetate (PubChem CID 91155990) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-methylpropyl 2-(oxolan-2-ylmethoxy)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(oxolan-2-ylmethoxy)acetate
PubChem CID91155990
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-methylpropyl 2-(oxolan-2-ylmethoxy)acetate
SMILESCC(C)COC(=O)COCC1CCCO1
InChIInChI=1S/C11H20O4/c1-9(2)6-15-11(12)8-13-7-10-4-3-5-14-10/h9-10H,3-8H2,1-2H3
InChIKeyPLVQSDHECFBGAV-UHFFFAOYSA-N
XLogP1.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
4-O-(2-methylpropyl) 1-O-(oxolan-2-ylmethyl) (E)-but-2-enedioate
CID 91695848
2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]ethoxy]propan-2-ol
CID 54459416
[(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate
CID 139420667
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-(2-methylpropoxy)benzoate
CID 17201584
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
oxan-2-ylmethyl 2-cyclohexyloxyacetate
CID 78888478

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(oxolan-2-ylmethoxy)acetate?
The IUPAC name of 2-methylpropyl 2-(oxolan-2-ylmethoxy)acetate (CID 91155990) is 2-methylpropyl 2-(oxolan-2-ylmethoxy)acetate.
What is the SMILES notation for 2-methylpropyl 2-(oxolan-2-ylmethoxy)acetate?
The canonical SMILES for 2-methylpropyl 2-(oxolan-2-ylmethoxy)acetate is CC(C)COC(=O)COCC1CCCO1.
What is the InChIKey of 2-methylpropyl 2-(oxolan-2-ylmethoxy)acetate?
The InChIKey is PLVQSDHECFBGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-9(2)6-15-11(12)8-13-7-10-4-3-5-14-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-methylpropyl 2-(oxolan-2-ylmethoxy)acetate?
2-methylpropyl 2-(oxolan-2-ylmethoxy)acetate has a molecular weight of 216.28 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(oxolan-2-ylmethoxy)acetate is sourced from PubChem (CID 91155990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).