[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-methoxyphenyl)methanone

C15H18O4 — CID 101493909

IUPAC[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-methoxyphenyl)methanone
SMILESC=C[C@H]1OC(C)(C)O[C@H]1C(=O)c1ccccc1OC
InChIInChI=1S/C15H18O4/c1-5-11-14(19-15(2,3)18-11)13(16)10-8-6-7-9-12(10)17-4/h5-9,11,14H,1H2,2-4H3/t11-,14-/m1/s1
InChIKeyRTURAZANYJGIAH-BXUZGUMPSA-N
MW262.31 g/mol
LogP2.58
Rot. Bonds4

About [(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-methoxyphenyl)methanone

[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-methoxyphenyl)methanone (PubChem CID 101493909) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is [(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-methoxyphenyl)methanone
PubChem CID101493909
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-methoxyphenyl)methanone
SMILESC=C[C@H]1OC(C)(C)O[C@H]1C(=O)c1ccccc1OC
InChIInChI=1S/C15H18O4/c1-5-11-14(19-15(2,3)18-11)13(16)10-8-6-7-9-12(10)17-4/h5-9,11,14H,1H2,2-4H3/t11-,14-/m1/s1
InChIKeyRTURAZANYJGIAH-BXUZGUMPSA-N
XLogP2.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone
CID 107003800
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
[(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 12504152
(2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944243
1-(2-methoxyphenyl)hept-6-en-1-one
CID 159355856
(2-methoxyphenyl)-(2-methylcyclobutyl)methanone
CID 71020472
6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone
CID 114962813
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-methoxybenzoyl iodide
CID 139677083
CID 135043978
CID 135043978

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-methoxyphenyl)methanone (CID 101493909) is [(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-methoxyphenyl)methanone is C=C[C@H]1OC(C)(C)O[C@H]1C(=O)c1ccccc1OC.
What is the InChIKey of [(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-methoxyphenyl)methanone?
The InChIKey is RTURAZANYJGIAH-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H18O4/c1-5-11-14(19-15(2,3)18-11)13(16)10-8-6-7-9-12(10)17-4/h5-9,11,14H,1H2,2-4H3/t11-,14-/m1/s1.
What are the key properties of [(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-methoxyphenyl)methanone?
[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-methoxyphenyl)methanone has a molecular weight of 262.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 101493909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).