methyl 2-[2-methyl-5-(2-methylpropyl)oxolan-2-yl]acetate

C12H22O3 — CID 13244834

IUPACmethyl 2-[2-methyl-5-(2-methylpropyl)oxolan-2-yl]acetate
SMILESCOC(=O)CC1(C)CCC(CC(C)C)O1
InChIInChI=1S/C12H22O3/c1-9(2)7-10-5-6-12(3,15-10)8-11(13)14-4/h9-10H,5-8H2,1-4H3
InChIKeyDPFXRVHFFURMQM-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.53
Rot. Bonds4

About methyl 2-[2-methyl-5-(2-methylpropyl)oxolan-2-yl]acetate

methyl 2-[2-methyl-5-(2-methylpropyl)oxolan-2-yl]acetate (PubChem CID 13244834) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is methyl 2-[2-methyl-5-(2-methylpropyl)oxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methyl-5-(2-methylpropyl)oxolan-2-yl]acetate
PubChem CID13244834
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namemethyl 2-[2-methyl-5-(2-methylpropyl)oxolan-2-yl]acetate
SMILESCOC(=O)CC1(C)CCC(CC(C)C)O1
InChIInChI=1S/C12H22O3/c1-9(2)7-10-5-6-12(3,15-10)8-11(13)14-4/h9-10H,5-8H2,1-4H3
InChIKeyDPFXRVHFFURMQM-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methyl-5-(2-methylpropyl)oxolan-2-yl]acetate?
The IUPAC name of methyl 2-[2-methyl-5-(2-methylpropyl)oxolan-2-yl]acetate (CID 13244834) is methyl 2-[2-methyl-5-(2-methylpropyl)oxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[2-methyl-5-(2-methylpropyl)oxolan-2-yl]acetate?
The canonical SMILES for methyl 2-[2-methyl-5-(2-methylpropyl)oxolan-2-yl]acetate is COC(=O)CC1(C)CCC(CC(C)C)O1.
What is the InChIKey of methyl 2-[2-methyl-5-(2-methylpropyl)oxolan-2-yl]acetate?
The InChIKey is DPFXRVHFFURMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-9(2)7-10-5-6-12(3,15-10)8-11(13)14-4/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 2-[2-methyl-5-(2-methylpropyl)oxolan-2-yl]acetate?
methyl 2-[2-methyl-5-(2-methylpropyl)oxolan-2-yl]acetate has a molecular weight of 214.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methyl-5-(2-methylpropyl)oxolan-2-yl]acetate is sourced from PubChem (CID 13244834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).