(2R)-2-[(1S,2R)-1,2-bis(2-methoxyethoxymethoxy)but-3-enyl]oxirane

C14H26O7 — CID 10859742

IUPAC(2R)-2-[(1S,2R)-1,2-bis(2-methoxyethoxymethoxy)but-3-enyl]oxirane
SMILESC=C[C@@H](OCOCCOC)[C@H](OCOCCOC)[C@H]1CO1
InChIInChI=1S/C14H26O7/c1-4-12(20-10-17-7-5-15-2)14(13-9-19-13)21-11-18-8-6-16-3/h4,12-14H,1,5-11H2,2-3H3/t12-,13-,14+/m1/s1
InChIKeyRMZAFYFUEMORIJ-MCIONIFRSA-N
MW306.36 g/mol
LogP0.58
Rot. Bonds15

About (2R)-2-[(1S,2R)-1,2-bis(2-methoxyethoxymethoxy)but-3-enyl]oxirane

(2R)-2-[(1S,2R)-1,2-bis(2-methoxyethoxymethoxy)but-3-enyl]oxirane (PubChem CID 10859742) has the molecular formula C14H26O7 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2R)-2-[(1S,2R)-1,2-bis(2-methoxyethoxymethoxy)but-3-enyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(1S,2R)-1,2-bis(2-methoxyethoxymethoxy)but-3-enyl]oxirane
PubChem CID10859742
Molecular FormulaC14H26O7
Molecular Weight306.36 g/mol
Exact Mass306.17
IUPAC Name(2R)-2-[(1S,2R)-1,2-bis(2-methoxyethoxymethoxy)but-3-enyl]oxirane
SMILESC=C[C@@H](OCOCCOC)[C@H](OCOCCOC)[C@H]1CO1
InChIInChI=1S/C14H26O7/c1-4-12(20-10-17-7-5-15-2)14(13-9-19-13)21-11-18-8-6-16-3/h4,12-14H,1,5-11H2,2-3H3/t12-,13-,14+/m1/s1
InChIKeyRMZAFYFUEMORIJ-MCIONIFRSA-N
XLogP0.58
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-2,2-dimethyl-4-((r)-oxiran-2-yl)-5-vinyl-1,3-dioxolane
CID 11126700
(4S,5S)-4-ethenyl-2,2-dimethyl-5-[(2R)-oxiran-2-yl]-1,3-dioxolane
CID 11499284
(2R,3R,4R)-3,4-bis(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyran
CID 134834586
(4R)-4-(3-ethenyloxiran-2-yl)-2,2-dimethyl-1,3-dioxolane
CID 134995970
(4R)-4-[(2S,3S)-3-ethenyloxiran-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 10511350
(4R)-4-[(2R,3R)-3-ethenyloxiran-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 10821035
(4S,5S)-4,5-bis[(1S)-1-methoxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolane
CID 12051046
1,2-Epoxy-3,4-(dimethylmethylenedioxy)-5-hexene
CID 10012323
(2R,3R,4R)-3,4-bis(methoxymethoxy)-2-(methoxymethoxymethyl)-3,4-dihydro-2H-pyran
CID 13871506
2-[2-Methoxy-1-(3-methoxypropoxy)but-3-enyl]oxirane
CID 20716966
(2S)-2-[(1R)-1-(2-methoxypropan-2-yloxy)prop-2-enyl]oxirane
CID 22850396
(r)-1-Allyloxy-2-[(2-methoxyethoxy)methoxy]pent-4-ene
CID 25133555

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S,2R)-1,2-bis(2-methoxyethoxymethoxy)but-3-enyl]oxirane?
The IUPAC name of (2R)-2-[(1S,2R)-1,2-bis(2-methoxyethoxymethoxy)but-3-enyl]oxirane (CID 10859742) is (2R)-2-[(1S,2R)-1,2-bis(2-methoxyethoxymethoxy)but-3-enyl]oxirane.
What is the SMILES notation for (2R)-2-[(1S,2R)-1,2-bis(2-methoxyethoxymethoxy)but-3-enyl]oxirane?
The canonical SMILES for (2R)-2-[(1S,2R)-1,2-bis(2-methoxyethoxymethoxy)but-3-enyl]oxirane is C=C[C@@H](OCOCCOC)[C@H](OCOCCOC)[C@H]1CO1.
What is the InChIKey of (2R)-2-[(1S,2R)-1,2-bis(2-methoxyethoxymethoxy)but-3-enyl]oxirane?
The InChIKey is RMZAFYFUEMORIJ-MCIONIFRSA-N. The full InChI is InChI=1S/C14H26O7/c1-4-12(20-10-17-7-5-15-2)14(13-9-19-13)21-11-18-8-6-16-3/h4,12-14H,1,5-11H2,2-3H3/t12-,13-,14+/m1/s1.
What are the key properties of (2R)-2-[(1S,2R)-1,2-bis(2-methoxyethoxymethoxy)but-3-enyl]oxirane?
(2R)-2-[(1S,2R)-1,2-bis(2-methoxyethoxymethoxy)but-3-enyl]oxirane has a molecular weight of 306.36 g/mol, XLogP of 0.58, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S,2R)-1,2-bis(2-methoxyethoxymethoxy)but-3-enyl]oxirane is sourced from PubChem (CID 10859742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).