(2R,3S)-3-but-3-enoxy-2-prop-2-enyloxane

C12H20O2 — CID 10607945

IUPAC(2R,3S)-3-but-3-enoxy-2-prop-2-enyloxane
SMILESC=CCCO[C@H]1CCCO[C@@H]1CC=C
InChIInChI=1S/C12H20O2/c1-3-5-9-13-12-8-6-10-14-11(12)7-4-2/h3-4,11-12H,1-2,5-10H2/t11-,12+/m1/s1
InChIKeyTZGYZWNQCPUHCI-NEPJUHHUSA-N
MW196.29 g/mol
LogP2.70
Rot. Bonds6

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

(2R,3S)-3-but-3-enoxy-2-prop-2-enyloxane (PubChem CID 10607945) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (2R,3S)-3-but-3-enoxy-2-prop-2-enyloxane.

Molecular Properties

Compound Name(2R,3S)-3-but-3-enoxy-2-prop-2-enyloxane
PubChem CID10607945
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(2R,3S)-3-but-3-enoxy-2-prop-2-enyloxane
SMILESC=CCCO[C@H]1CCCO[C@@H]1CC=C
InChIInChI=1S/C12H20O2/c1-3-5-9-13-12-8-6-10-14-11(12)7-4-2/h3-4,11-12H,1-2,5-10H2/t11-,12+/m1/s1
InChIKeyTZGYZWNQCPUHCI-NEPJUHHUSA-N
XLogP2.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.70
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

2-(Prop-2-en-1-yl)oxane
CID 10866337
(2R)-2-(Prop-2-en-1-yl)oxane
CID 71368402
7,8-Dimethoxyoct-1-ene
CID 3022579
2,3,4,4a,8,8a-Hexahydro-pyrano[3,2-b]pyran
CID 558760
(2S,6S)-2-pentyl-6-prop-2-enyloxane
CID 10512105
(2S,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane
CID 11105800
(2R,3S,6R)-6-methyl-2-prop-2-enyloxan-3-ol
CID 46909609
(4aR,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran
CID 53235925
(2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane
CID 102446889
(2R,3R,4aR,8aR)-3-but-3-enoxy-2-prop-2-enyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CID 135017677
(1S,9E,11R)-2,12-dioxabicyclo[9.4.0]pentadec-9-ene
CID 10488669
(2R,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane
CID 10634717

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-but-3-enoxy-2-prop-2-enyloxane?
The IUPAC name of (2R,3S)-3-but-3-enoxy-2-prop-2-enyloxane (CID 10607945) is (2R,3S)-3-but-3-enoxy-2-prop-2-enyloxane.
What is the SMILES notation for (2R,3S)-3-but-3-enoxy-2-prop-2-enyloxane?
The canonical SMILES for (2R,3S)-3-but-3-enoxy-2-prop-2-enyloxane is C=CCCO[C@H]1CCCO[C@@H]1CC=C.
What is the InChIKey of (2R,3S)-3-but-3-enoxy-2-prop-2-enyloxane?
The InChIKey is TZGYZWNQCPUHCI-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-5-9-13-12-8-6-10-14-11(12)7-4-2/h3-4,11-12H,1-2,5-10H2/t11-,12+/m1/s1.
What are the key properties of (2R,3S)-3-but-3-enoxy-2-prop-2-enyloxane?
(2R,3S)-3-but-3-enoxy-2-prop-2-enyloxane has a molecular weight of 196.29 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-but-3-enoxy-2-prop-2-enyloxane is sourced from PubChem (CID 10607945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).