(5-methyl-3-phenyloxolan-3-yl)methyl 2,2-dimethylpropanoate

C17H24O3 — CID 101410442

IUPAC(5-methyl-3-phenyloxolan-3-yl)methyl 2,2-dimethylpropanoate
SMILESCC1CC(COC(=O)C(C)(C)C)(c2ccccc2)CO1
InChIInChI=1S/C17H24O3/c1-13-10-17(11-19-13,14-8-6-5-7-9-14)12-20-15(18)16(2,3)4/h5-9,13H,10-12H2,1-4H3
InChIKeyNHPSNGZLAPWDJH-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.32
Rot. Bonds3

About (5-methyl-3-phenyloxolan-3-yl)methyl 2,2-dimethylpropanoate

(5-methyl-3-phenyloxolan-3-yl)methyl 2,2-dimethylpropanoate (PubChem CID 101410442) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (5-methyl-3-phenyloxolan-3-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(5-methyl-3-phenyloxolan-3-yl)methyl 2,2-dimethylpropanoate
PubChem CID101410442
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(5-methyl-3-phenyloxolan-3-yl)methyl 2,2-dimethylpropanoate
SMILESCC1CC(COC(=O)C(C)(C)C)(c2ccccc2)CO1
InChIInChI=1S/C17H24O3/c1-13-10-17(11-19-13,14-8-6-5-7-9-14)12-20-15(18)16(2,3)4/h5-9,13H,10-12H2,1-4H3
InChIKeyNHPSNGZLAPWDJH-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenylethyl propionate
CID 31225
Phenethyl butyrate
CID 7658
Phenylethyl 2-methylbutyrate
CID 520148
1,1-Dimethyl-2-phenylethyl butyrate
CID 24915
Phenethyl isobutyrate
CID 7655
Phenylethyl isovalerate
CID 8792
Phenethyl valerate
CID 81964
Dimethyl benzyl carbinyl acetate
CID 9024
1-Phenyl-3-acetoxybutane
CID 61517
2-Phenylpropyl isobutyrate
CID 576240
2-Phenylpropyl butyrate
CID 576263
1-Phenyl-2-propyl butyrate
CID 19857768

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyloxolan-3-yl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (5-methyl-3-phenyloxolan-3-yl)methyl 2,2-dimethylpropanoate (CID 101410442) is (5-methyl-3-phenyloxolan-3-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (5-methyl-3-phenyloxolan-3-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (5-methyl-3-phenyloxolan-3-yl)methyl 2,2-dimethylpropanoate is CC1CC(COC(=O)C(C)(C)C)(c2ccccc2)CO1.
What is the InChIKey of (5-methyl-3-phenyloxolan-3-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is NHPSNGZLAPWDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-13-10-17(11-19-13,14-8-6-5-7-9-14)12-20-15(18)16(2,3)4/h5-9,13H,10-12H2,1-4H3.
What are the key properties of (5-methyl-3-phenyloxolan-3-yl)methyl 2,2-dimethylpropanoate?
(5-methyl-3-phenyloxolan-3-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 276.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyloxolan-3-yl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 101410442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).