7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene

C20H28O3 — CID 54081276

IUPAC7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene
SMILESCCC1(C)OC1CCC(C)=CCOc1ccc2c(c1)OCCC2
InChIInChI=1S/C20H28O3/c1-4-20(3)19(23-20)10-7-15(2)11-13-21-17-9-8-16-6-5-12-22-18(16)14-17/h8-9,11,14,19H,4-7,10,12-13H2,1-3H3
InChIKeyMNHKFFFLEZIYAJ-UHFFFAOYSA-N
MW316.44 g/mol
LogP4.68
Rot. Bonds7

About 7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene

7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene (PubChem CID 54081276) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is 7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene
PubChem CID54081276
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Name7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene
SMILESCCC1(C)OC1CCC(C)=CCOc1ccc2c(c1)OCCC2
InChIInChI=1S/C20H28O3/c1-4-20(3)19(23-20)10-7-15(2)11-13-21-17-9-8-16-6-5-12-22-18(16)14-17/h8-9,11,14,19H,4-7,10,12-13H2,1-3H3
InChIKeyMNHKFFFLEZIYAJ-UHFFFAOYSA-N
XLogP4.68
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[3-methyl-5-[3-methyl-3-(2-methylpropyl)oxiran-2-yl]pent-2-enoxy]-2,3-dihydro-1-benzofuran
CID 54207005
2-ethyl-2-methyl-3-(3-methyl-5-phenoxypent-3-enyl)oxirane
CID 163620359
6-[3-ethyl-5-(3-ethyl-3-methyloxiran-2-yl)pent-2-enoxy]-2,2-dimethyl-3H-1-benzofuran
CID 88821471
6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran
CID 54350423
6-[(E)-6-methoxy-3,7,7-trimethyloct-2-enoxy]-2,3-dihydro-1-benzofuran
CID 21485168
5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole
CID 70122710
2-ethyl-3-[3-ethyl-5-(4-ethylphenoxy)pent-3-enyl]-2-methyloxirane
CID 54049605
3-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-diethylpropanamide
CID 141195353
4-(3,4-dihydro-2H-chromen-7-yloxy)-N,N-dimethylbutanamide
CID 141195387
3,3-dimethyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2H-1-benzofuran
CID 70638481
6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran
CID 21485121
4-[(E)-5-[(2S,4R)-7'-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-5,5-dimethylspiro[1,3-dioxolane-2,2'-3,4-dihydrochromene]-4-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one
CID 89197334

Frequently Asked Questions

What is the IUPAC name of 7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene?
The IUPAC name of 7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene (CID 54081276) is 7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene is CCC1(C)OC1CCC(C)=CCOc1ccc2c(c1)OCCC2.
What is the InChIKey of 7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene?
The InChIKey is MNHKFFFLEZIYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O3/c1-4-20(3)19(23-20)10-7-15(2)11-13-21-17-9-8-16-6-5-12-22-18(16)14-17/h8-9,11,14,19H,4-7,10,12-13H2,1-3H3.
What are the key properties of 7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene?
7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene has a molecular weight of 316.44 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 54081276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).