3-[2-[(1-ethyl-2,2-dimethylcyclobutyl)methyl]prop-2-enyl]oxolane-2,5-dione

C16H24O3 — CID 174162753

IUPAC3-[2-[(1-ethyl-2,2-dimethylcyclobutyl)methyl]prop-2-enyl]oxolane-2,5-dione
SMILESC=C(CC1CC(=O)OC1=O)CC1(CC)CCC1(C)C
InChIInChI=1S/C16H24O3/c1-5-16(7-6-15(16,3)4)10-11(2)8-12-9-13(17)19-14(12)18/h12H,2,5-10H2,1,3-4H3
InChIKeySZYZYENPFNUKLG-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.63
Rot. Bonds5

About 3-[2-[(1-ethyl-2,2-dimethylcyclobutyl)methyl]prop-2-enyl]oxolane-2,5-dione

3-[2-[(1-ethyl-2,2-dimethylcyclobutyl)methyl]prop-2-enyl]oxolane-2,5-dione (PubChem CID 174162753) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 3-[2-[(1-ethyl-2,2-dimethylcyclobutyl)methyl]prop-2-enyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[2-[(1-ethyl-2,2-dimethylcyclobutyl)methyl]prop-2-enyl]oxolane-2,5-dione
PubChem CID174162753
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name3-[2-[(1-ethyl-2,2-dimethylcyclobutyl)methyl]prop-2-enyl]oxolane-2,5-dione
SMILESC=C(CC1CC(=O)OC1=O)CC1(CC)CCC1(C)C
InChIInChI=1S/C16H24O3/c1-5-16(7-6-15(16,3)4)10-11(2)8-12-9-13(17)19-14(12)18/h12H,2,5-10H2,1,3-4H3
InChIKeySZYZYENPFNUKLG-UHFFFAOYSA-N
XLogP3.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(4,6,8,10,12-pentamethyl-2-methylidenetridecyl)oxolane-2,5-dione
CID 58626887
ethane;3-propyloxolane-2,5-dione
CID 143734634
3-[[(3S)-2,5-dioxooxolan-3-yl]methyl]oxolane-2,5-dione
CID 148818763
3-(2-trimethylsilylpropyl)oxolane-2,5-dione
CID 59938370
3-[(2Z)-2-[(2,5-dioxooxolan-3-yl)methylidene]butyl]oxolane-2,5-dione
CID 142996749
3-octa-2,4-dienyloxolane-2,5-dione
CID 153403981
3-(2,4,6-trimethylnon-2-enyl)oxolane-2,5-dione
CID 75087088
3-[(E)-2,4,6-trimethylnon-2-enyl]oxolane-2,5-dione
CID 45052020
(3R)-3-hexyloxolane-2,5-dione
CID 3084893
3-dotriacontyloxolane-2,5-dione
CID 14694279
3-tetratetracontyloxolane-2,5-dione
CID 14694291
3-(2,4,4,6,6-pentamethylhept-2-enyl)oxolane-2,5-dione
CID 59882767

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-ethyl-2,2-dimethylcyclobutyl)methyl]prop-2-enyl]oxolane-2,5-dione?
The IUPAC name of 3-[2-[(1-ethyl-2,2-dimethylcyclobutyl)methyl]prop-2-enyl]oxolane-2,5-dione (CID 174162753) is 3-[2-[(1-ethyl-2,2-dimethylcyclobutyl)methyl]prop-2-enyl]oxolane-2,5-dione.
What is the SMILES notation for 3-[2-[(1-ethyl-2,2-dimethylcyclobutyl)methyl]prop-2-enyl]oxolane-2,5-dione?
The canonical SMILES for 3-[2-[(1-ethyl-2,2-dimethylcyclobutyl)methyl]prop-2-enyl]oxolane-2,5-dione is C=C(CC1CC(=O)OC1=O)CC1(CC)CCC1(C)C.
What is the InChIKey of 3-[2-[(1-ethyl-2,2-dimethylcyclobutyl)methyl]prop-2-enyl]oxolane-2,5-dione?
The InChIKey is SZYZYENPFNUKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-16(7-6-15(16,3)4)10-11(2)8-12-9-13(17)19-14(12)18/h12H,2,5-10H2,1,3-4H3.
What are the key properties of 3-[2-[(1-ethyl-2,2-dimethylcyclobutyl)methyl]prop-2-enyl]oxolane-2,5-dione?
3-[2-[(1-ethyl-2,2-dimethylcyclobutyl)methyl]prop-2-enyl]oxolane-2,5-dione has a molecular weight of 264.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-ethyl-2,2-dimethylcyclobutyl)methyl]prop-2-enyl]oxolane-2,5-dione is sourced from PubChem (CID 174162753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).