(2R)-2-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]oxirane

C11H20O4 — CID 11816767

IUPAC(2R)-2-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]oxirane
SMILESC=CC[C@H](C[C@@H]1CO1)OCOCCOC
InChIInChI=1S/C11H20O4/c1-3-4-10(7-11-8-14-11)15-9-13-6-5-12-2/h3,10-11H,1,4-9H2,2H3/t10-,11-/m1/s1
InChIKeyJJKLWYNJWDJRHN-GHMZBOCLSA-N
MW216.28 g/mol
LogP1.36
Rot. Bonds10

About (2R)-2-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]oxirane

(2R)-2-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]oxirane (PubChem CID 11816767) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R)-2-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]oxirane
PubChem CID11816767
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(2R)-2-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]oxirane
SMILESC=CC[C@H](C[C@@H]1CO1)OCOCCOC
InChIInChI=1S/C11H20O4/c1-3-4-10(7-11-8-14-11)15-9-13-6-5-12-2/h3,10-11H,1,4-9H2,2H3/t10-,11-/m1/s1
InChIKeyJJKLWYNJWDJRHN-GHMZBOCLSA-N
XLogP1.36
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-4-[(2S)-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolane
CID 14609680
2-Pentoxy-3-prop-2-enyloxirane
CID 87691163
2-[[5-But-3-enoxy-2-(methoxymethoxy)pentoxy]methyl]oxirane
CID 164782023
2-[[6-But-3-enoxy-2-(methoxymethoxy)hexoxy]methyl]oxirane
CID 164782026
2-[[2-(Methoxymethoxy)-3-pent-4-enoxypropoxy]methyl]oxirane
CID 168101446
(2R)-2-[(1S,2R)-1,2-bis(2-methoxyethoxymethoxy)but-3-enyl]oxirane
CID 10859742
(4S)-4-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]-2,2-dimethyl-1,3-dioxolane
CID 11242799
(2S,4R)-4-(2-methoxyethoxymethoxy)hept-6-ene-1,2-diol
CID 11299274
(2S)-2-[(2S)-2-(2-methoxyethoxymethoxy)but-3-enyl]oxirane
CID 11830484
(2S)-2-[(2S)-2-(methoxymethoxy)pent-4-enyl]oxirane
CID 46844230
(4R,5R)-4-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2,5-trimethyl-1,3-dioxolane
CID 51042315
2-[2-(Methoxymethoxy)pent-4-en-1-yl]-2-methyl-1,3-dioxolane
CID 71426336

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]oxirane?
The IUPAC name of (2R)-2-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]oxirane (CID 11816767) is (2R)-2-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]oxirane.
What is the SMILES notation for (2R)-2-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]oxirane?
The canonical SMILES for (2R)-2-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]oxirane is C=CC[C@H](C[C@@H]1CO1)OCOCCOC.
What is the InChIKey of (2R)-2-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]oxirane?
The InChIKey is JJKLWYNJWDJRHN-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-4-10(7-11-8-14-11)15-9-13-6-5-12-2/h3,10-11H,1,4-9H2,2H3/t10-,11-/m1/s1.
What are the key properties of (2R)-2-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]oxirane?
(2R)-2-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]oxirane has a molecular weight of 216.28 g/mol, XLogP of 1.36, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]oxirane is sourced from PubChem (CID 11816767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).