(2R,3S)-3-pent-4-enoxy-2-(prop-2-enoxymethyl)oxane

C14H24O3 — CID 10538033

IUPAC(2R,3S)-3-pent-4-enoxy-2-(prop-2-enoxymethyl)oxane
SMILESC=CCCCO[C@H]1CCCO[C@@H]1COCC=C
InChIInChI=1S/C14H24O3/c1-3-5-6-10-16-13-8-7-11-17-14(13)12-15-9-4-2/h3-4,13-14H,1-2,5-12H2/t13-,14+/m0/s1
InChIKeyHSNIIWFCBJIZED-UONOGXRCSA-N
MW240.34 g/mol
LogP2.72
Rot. Bonds9

About (2R,3S)-3-pent-4-enoxy-2-(prop-2-enoxymethyl)oxane

(2R,3S)-3-pent-4-enoxy-2-(prop-2-enoxymethyl)oxane (PubChem CID 10538033) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (2R,3S)-3-pent-4-enoxy-2-(prop-2-enoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3S)-3-pent-4-enoxy-2-(prop-2-enoxymethyl)oxane
PubChem CID10538033
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(2R,3S)-3-pent-4-enoxy-2-(prop-2-enoxymethyl)oxane
SMILESC=CCCCO[C@H]1CCCO[C@@H]1COCC=C
InChIInChI=1S/C14H24O3/c1-3-5-6-10-16-13-8-7-11-17-14(13)12-15-9-4-2/h3-4,13-14H,1-2,5-12H2/t13-,14+/m0/s1
InChIKeyHSNIIWFCBJIZED-UONOGXRCSA-N
XLogP2.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,6R)-3,4-bis(allyloxy)-2-((allyloxy)methyl)-6-fluorotetrahydro-2H-pyran
CID 163409542
(2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane
CID 102446889
(2S,3R)-2-but-3-enyl-3-(2-methylprop-2-enoxy)oxane
CID 102446890
(2R,3S,4S)-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)-3,4-dihydro-2H-pyran
CID 134857130
(2S,3S,4S)-6-fluoro-4-methoxy-2-methyl-3-prop-2-enoxyoxane
CID 102299129
(2R,3S)-3-but-3-enoxy-2-(prop-2-enoxymethyl)oxane
CID 10537245
(2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane
CID 10634717
(4aS,8Z,12aR)-3,4,4a,6,7,10,12,12a-octahydro-2H-pyrano[3,2-b][1,5]dioxecine
CID 10821811
3-(2-Ethoxyethoxy)oct-1-ene
CID 20357215
4-Oct-1-en-3-yloxyoxane
CID 57148131
(2S,3S,5S,6S)-3,5-dimethoxy-2,6-dimethyl-4-prop-2-enoxyoxane
CID 60018442
2-Ethenyl-4-propoxyoxane
CID 67319194

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-pent-4-enoxy-2-(prop-2-enoxymethyl)oxane?
The IUPAC name of (2R,3S)-3-pent-4-enoxy-2-(prop-2-enoxymethyl)oxane (CID 10538033) is (2R,3S)-3-pent-4-enoxy-2-(prop-2-enoxymethyl)oxane.
What is the SMILES notation for (2R,3S)-3-pent-4-enoxy-2-(prop-2-enoxymethyl)oxane?
The canonical SMILES for (2R,3S)-3-pent-4-enoxy-2-(prop-2-enoxymethyl)oxane is C=CCCCO[C@H]1CCCO[C@@H]1COCC=C.
What is the InChIKey of (2R,3S)-3-pent-4-enoxy-2-(prop-2-enoxymethyl)oxane?
The InChIKey is HSNIIWFCBJIZED-UONOGXRCSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-5-6-10-16-13-8-7-11-17-14(13)12-15-9-4-2/h3-4,13-14H,1-2,5-12H2/t13-,14+/m0/s1.
What are the key properties of (2R,3S)-3-pent-4-enoxy-2-(prop-2-enoxymethyl)oxane?
(2R,3S)-3-pent-4-enoxy-2-(prop-2-enoxymethyl)oxane has a molecular weight of 240.34 g/mol, XLogP of 2.72, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-pent-4-enoxy-2-(prop-2-enoxymethyl)oxane is sourced from PubChem (CID 10538033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).