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

C13H22O2 — CID 10608531

IUPAC(2R,3S)-3-pent-4-enoxy-2-prop-2-enyloxane
SMILESC=CCCCO[C@H]1CCCO[C@@H]1CC=C
InChIInChI=1S/C13H22O2/c1-3-5-6-10-14-13-9-7-11-15-12(13)8-4-2/h3-4,12-13H,1-2,5-11H2/t12-,13+/m1/s1
InChIKeySLHFEIFNCGQAAR-OLZOCXBDSA-N
MW210.32 g/mol
LogP3.09
Rot. Bonds7

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

(2R,3S)-3-pent-4-enoxy-2-prop-2-enyloxane (PubChem CID 10608531) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2R,3S)-3-pent-4-enoxy-2-prop-2-enyloxane.

Molecular Properties

Compound Name(2R,3S)-3-pent-4-enoxy-2-prop-2-enyloxane
PubChem CID10608531
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(2R,3S)-3-pent-4-enoxy-2-prop-2-enyloxane
SMILESC=CCCCO[C@H]1CCCO[C@@H]1CC=C
InChIInChI=1S/C13H22O2/c1-3-5-6-10-14-13-9-7-11-15-12(13)8-4-2/h3-4,12-13H,1-2,5-11H2/t12-,13+/m1/s1
InChIKeySLHFEIFNCGQAAR-OLZOCXBDSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-3-but-3-enoxyoxan-2-yl]methanol
CID 10773900
(2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane
CID 132969009
(2S)-2-pent-4-enoxyoxane
CID 58779863
(2-prop-2-enyloxan-3-yl) butanoate
CID 15372487
(2S,3R)-2-prop-2-enyloxan-3-ol
CID 14917728
3-chloro-2-prop-2-enyloxolane
CID 13494562
(2S,3R)-3-ethenoxy-2-(2-methylprop-2-enyl)oxane
CID 102446457
3-hexadecoxy-2-methyloxane
CID 67870408
but-3-enyl (2R)-oxolane-2-carboxylate
CID 101466422
2-[3-[2-(2-chloroethoxy)ethoxy]oxan-2-yl]ethanol
CID 57083071
(2S,3S)-3-hexadecoxy-2-(phenylmethoxymethyl)oxane
CID 22841014
5-(pent-4-enoxymethoxy)pent-1-ene
CID 102227605

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-pent-4-enoxy-2-prop-2-enyloxane?
The IUPAC name of (2R,3S)-3-pent-4-enoxy-2-prop-2-enyloxane (CID 10608531) is (2R,3S)-3-pent-4-enoxy-2-prop-2-enyloxane.
What is the SMILES notation for (2R,3S)-3-pent-4-enoxy-2-prop-2-enyloxane?
The canonical SMILES for (2R,3S)-3-pent-4-enoxy-2-prop-2-enyloxane is C=CCCCO[C@H]1CCCO[C@@H]1CC=C.
What is the InChIKey of (2R,3S)-3-pent-4-enoxy-2-prop-2-enyloxane?
The InChIKey is SLHFEIFNCGQAAR-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-5-6-10-14-13-9-7-11-15-12(13)8-4-2/h3-4,12-13H,1-2,5-11H2/t12-,13+/m1/s1.
What are the key properties of (2R,3S)-3-pent-4-enoxy-2-prop-2-enyloxane?
(2R,3S)-3-pent-4-enoxy-2-prop-2-enyloxane has a molecular weight of 210.32 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-pent-4-enoxy-2-prop-2-enyloxane is sourced from PubChem (CID 10608531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).