(4-methylidene-5-oxooxolan-2-yl)methyl 2,2,4,4-tetramethylpentanoate

C15H24O4 — CID 163662922

IUPAC(4-methylidene-5-oxooxolan-2-yl)methyl 2,2,4,4-tetramethylpentanoate
SMILESC=C1CC(COC(=O)C(C)(C)CC(C)(C)C)OC1=O
InChIInChI=1S/C15H24O4/c1-10-7-11(19-12(10)16)8-18-13(17)15(5,6)9-14(2,3)4/h11H,1,7-9H2,2-6H3
InChIKeyIVXSSNUCTLVPRL-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.86
Rot. Bonds4

About (4-methylidene-5-oxooxolan-2-yl)methyl 2,2,4,4-tetramethylpentanoate

(4-methylidene-5-oxooxolan-2-yl)methyl 2,2,4,4-tetramethylpentanoate (PubChem CID 163662922) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (4-methylidene-5-oxooxolan-2-yl)methyl 2,2,4,4-tetramethylpentanoate.

Molecular Properties

Compound Name(4-methylidene-5-oxooxolan-2-yl)methyl 2,2,4,4-tetramethylpentanoate
PubChem CID163662922
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(4-methylidene-5-oxooxolan-2-yl)methyl 2,2,4,4-tetramethylpentanoate
SMILESC=C1CC(COC(=O)C(C)(C)CC(C)(C)C)OC1=O
InChIInChI=1S/C15H24O4/c1-10-7-11(19-12(10)16)8-18-13(17)15(5,6)9-14(2,3)4/h11H,1,7-9H2,2-6H3
InChIKeyIVXSSNUCTLVPRL-UHFFFAOYSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4-methylidene-5-oxooxolan-2-yl)methyl 2-methoxyacetate
CID 130379761
methoxymethyl 2-(4-methylidene-5-oxooxolan-2-yl)acetate
CID 130375952
(5S)-5-(hydroxymethyl)-3-methylideneoxolan-2-one
CID 5325916
oxiran-2-ylmethyl 2-(2,2-dimethylpropyl)-2,4,4-trimethylpentanoate
CID 58610629
(5S)-3-methylidene-5-[3-[(2R)-4-methylidene-5-oxooxolan-2-yl]propyl]oxolan-2-one
CID 92527198
3-methylidene-5-(methylsulfanylmethyl)oxolan-2-one
CID 19378131
(2-oxo-1,3-oxathiolan-5-yl)methyl 2,2-dimethylpropanoate
CID 147288997
[(2S)-oxiran-2-yl]methyl 2,2-dimethylpropanoate
CID 11768834
methyl 11-(4-methylidene-5-oxooxolan-2-yl)undecanoate
CID 11150628
3-methylidene-5-pentyloxolan-2-one
CID 10583238
(5S)-5-tert-butyl-3-methylideneoxolan-2-one
CID 102189232
[(2S)-4-ethenyl-3-methyl-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate
CID 10868345

Frequently Asked Questions

What is the IUPAC name of (4-methylidene-5-oxooxolan-2-yl)methyl 2,2,4,4-tetramethylpentanoate?
The IUPAC name of (4-methylidene-5-oxooxolan-2-yl)methyl 2,2,4,4-tetramethylpentanoate (CID 163662922) is (4-methylidene-5-oxooxolan-2-yl)methyl 2,2,4,4-tetramethylpentanoate.
What is the SMILES notation for (4-methylidene-5-oxooxolan-2-yl)methyl 2,2,4,4-tetramethylpentanoate?
The canonical SMILES for (4-methylidene-5-oxooxolan-2-yl)methyl 2,2,4,4-tetramethylpentanoate is C=C1CC(COC(=O)C(C)(C)CC(C)(C)C)OC1=O.
What is the InChIKey of (4-methylidene-5-oxooxolan-2-yl)methyl 2,2,4,4-tetramethylpentanoate?
The InChIKey is IVXSSNUCTLVPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-10-7-11(19-12(10)16)8-18-13(17)15(5,6)9-14(2,3)4/h11H,1,7-9H2,2-6H3.
What are the key properties of (4-methylidene-5-oxooxolan-2-yl)methyl 2,2,4,4-tetramethylpentanoate?
(4-methylidene-5-oxooxolan-2-yl)methyl 2,2,4,4-tetramethylpentanoate has a molecular weight of 268.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidene-5-oxooxolan-2-yl)methyl 2,2,4,4-tetramethylpentanoate is sourced from PubChem (CID 163662922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).