2-hept-2-en-3-yl-3-prop-2-enoxyoxirane

C12H20O2 — CID 133064835

IUPAC2-hept-2-en-3-yl-3-prop-2-enoxyoxirane
SMILESC=CCOC1OC1C(=CC)CCCC
InChIInChI=1S/C12H20O2/c1-4-7-8-10(6-3)11-12(14-11)13-9-5-2/h5-6,11-12H,2,4,7-9H2,1,3H3
InChIKeyUENQHSCUDXUOSP-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.05
Rot. Bonds7

About 2-hept-2-en-3-yl-3-prop-2-enoxyoxirane

2-hept-2-en-3-yl-3-prop-2-enoxyoxirane (PubChem CID 133064835) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-hept-2-en-3-yl-3-prop-2-enoxyoxirane.

Molecular Properties

Compound Name2-hept-2-en-3-yl-3-prop-2-enoxyoxirane
PubChem CID133064835
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-hept-2-en-3-yl-3-prop-2-enoxyoxirane
SMILESC=CCOC1OC1C(=CC)CCCC
InChIInChI=1S/C12H20O2/c1-4-7-8-10(6-3)11-12(14-11)13-9-5-2/h5-6,11-12H,2,4,7-9H2,1,3H3
InChIKeyUENQHSCUDXUOSP-UHFFFAOYSA-N
XLogP3.05
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(3E)-5-ethoxy-2-ethyl-3-heptylideneoxolane
CID 13973915
2-(Hept-2-en-3-yl)-3-[(prop-2-yn-1-yl)oxy]oxirane
CID 133064524
2-[(E)-3-methyl-4-(3-prop-2-enyloxiran-2-yl)but-2-enoxy]oxane
CID 134981705
(5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran
CID 135015993
6-Butyl-2-methoxy-1,7,10-trioxaspiro[4.5]dec-3-ene
CID 162408425
(2R,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran
CID 44605098
(2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran
CID 44606206
5-(1-Ethoxyethoxy)-4-methylundec-3-ene
CID 53962012
5-[1'-Ethoxyethoxy]-4-methyl-3-decene
CID 54052664
2-(Methoxymethoxy)-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene
CID 54451517
3-[5-(1-Ethoxyethoxy)-3-methylpent-3-en-1-yl]-2,2-dimethyloxirane
CID 71360636
2-[(E)-but-2-en-2-yl]-4-[[(Z)-docos-13-enoxy]methyl]-1,3-dioxolane
CID 121451578

Frequently Asked Questions

What is the IUPAC name of 2-hept-2-en-3-yl-3-prop-2-enoxyoxirane?
The IUPAC name of 2-hept-2-en-3-yl-3-prop-2-enoxyoxirane (CID 133064835) is 2-hept-2-en-3-yl-3-prop-2-enoxyoxirane.
What is the SMILES notation for 2-hept-2-en-3-yl-3-prop-2-enoxyoxirane?
The canonical SMILES for 2-hept-2-en-3-yl-3-prop-2-enoxyoxirane is C=CCOC1OC1C(=CC)CCCC.
What is the InChIKey of 2-hept-2-en-3-yl-3-prop-2-enoxyoxirane?
The InChIKey is UENQHSCUDXUOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-7-8-10(6-3)11-12(14-11)13-9-5-2/h5-6,11-12H,2,4,7-9H2,1,3H3.
What are the key properties of 2-hept-2-en-3-yl-3-prop-2-enoxyoxirane?
2-hept-2-en-3-yl-3-prop-2-enoxyoxirane has a molecular weight of 196.29 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-2-en-3-yl-3-prop-2-enoxyoxirane is sourced from PubChem (CID 133064835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).