(3R)-3-prop-2-enyl-3-(2,4,6-trimethoxyphenyl)oxolan-2-one

C16H20O5 — CID 134958496

IUPAC(3R)-3-prop-2-enyl-3-(2,4,6-trimethoxyphenyl)oxolan-2-one
SMILESC=CC[C@]1(c2c(OC)cc(OC)cc2OC)CCOC1=O
InChIInChI=1S/C16H20O5/c1-5-6-16(7-8-21-15(16)17)14-12(19-3)9-11(18-2)10-13(14)20-4/h5,9-10H,1,6-8H2,2-4H3/t16-/m1/s1
InChIKeyWZOMCFDOQDKTCP-MRXNPFEDSA-N
MW292.33 g/mol
LogP2.47
Rot. Bonds6

About (3R)-3-prop-2-enyl-3-(2,4,6-trimethoxyphenyl)oxolan-2-one

(3R)-3-prop-2-enyl-3-(2,4,6-trimethoxyphenyl)oxolan-2-one (PubChem CID 134958496) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is (3R)-3-prop-2-enyl-3-(2,4,6-trimethoxyphenyl)oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-prop-2-enyl-3-(2,4,6-trimethoxyphenyl)oxolan-2-one
PubChem CID134958496
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name(3R)-3-prop-2-enyl-3-(2,4,6-trimethoxyphenyl)oxolan-2-one
SMILESC=CC[C@]1(c2c(OC)cc(OC)cc2OC)CCOC1=O
InChIInChI=1S/C16H20O5/c1-5-6-16(7-8-21-15(16)17)14-12(19-3)9-11(18-2)10-13(14)20-4/h5,9-10H,1,6-8H2,2-4H3/t16-/m1/s1
InChIKeyWZOMCFDOQDKTCP-MRXNPFEDSA-N
XLogP2.47
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-2-(3-methoxyphenyl)-2-prop-2-enylcyclohexan-1-one
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2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-yl)acetic acid
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(4aR)-7-methoxy-4a-prop-2-enyl-3,4,9,10-tetrahydrophenanthren-2-one
CID 68835490
[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
CID 116829748
1-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile
CID 83713796
1-ethenyl-6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 70497227
trans-(2R,4R)-2-(4-methoxyphenyl)-4-methyl-2-prop-2-enylcyclobutan-1-one
CID 134963153
(3R,3'S)-5,7-dichloro-1-(methoxymethyl)-3'-(2-methoxyphenyl)-3'-prop-2-enylspiro[indole-3,4'-oxane]-2,2'-dione
CID 101248041
7-methoxy-9a-prop-2-enyl-2,9-dihydro-1H-xanthen-3-one
CID 102114513
3-(oxiran-2-ylmethyl)-3-prop-2-enyloxolan-2-one
CID 171617311
3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide
CID 116876194

Frequently Asked Questions

What is the IUPAC name of (3R)-3-prop-2-enyl-3-(2,4,6-trimethoxyphenyl)oxolan-2-one?
The IUPAC name of (3R)-3-prop-2-enyl-3-(2,4,6-trimethoxyphenyl)oxolan-2-one (CID 134958496) is (3R)-3-prop-2-enyl-3-(2,4,6-trimethoxyphenyl)oxolan-2-one.
What is the SMILES notation for (3R)-3-prop-2-enyl-3-(2,4,6-trimethoxyphenyl)oxolan-2-one?
The canonical SMILES for (3R)-3-prop-2-enyl-3-(2,4,6-trimethoxyphenyl)oxolan-2-one is C=CC[C@]1(c2c(OC)cc(OC)cc2OC)CCOC1=O.
What is the InChIKey of (3R)-3-prop-2-enyl-3-(2,4,6-trimethoxyphenyl)oxolan-2-one?
The InChIKey is WZOMCFDOQDKTCP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20O5/c1-5-6-16(7-8-21-15(16)17)14-12(19-3)9-11(18-2)10-13(14)20-4/h5,9-10H,1,6-8H2,2-4H3/t16-/m1/s1.
What are the key properties of (3R)-3-prop-2-enyl-3-(2,4,6-trimethoxyphenyl)oxolan-2-one?
(3R)-3-prop-2-enyl-3-(2,4,6-trimethoxyphenyl)oxolan-2-one has a molecular weight of 292.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-prop-2-enyl-3-(2,4,6-trimethoxyphenyl)oxolan-2-one is sourced from PubChem (CID 134958496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).