(2S,3R)-3-but-1-en-2-yloxy-2-prop-2-enyloxane

C12H20O2 — CID 10954489

IUPAC(2S,3R)-3-but-1-en-2-yloxy-2-prop-2-enyloxane
SMILESC=CC[C@@H]1OCCC[C@H]1OC(=C)CC
InChIInChI=1S/C12H20O2/c1-4-7-11-12(8-6-9-13-11)14-10(3)5-2/h4,11-12H,1,3,5-9H2,2H3/t11-,12+/m0/s1
InChIKeyMUWWXKOPJRXIDQ-NWDGAFQWSA-N
MW196.29 g/mol
LogP3.05
Rot. Bonds5

About (2S,3R)-3-but-1-en-2-yloxy-2-prop-2-enyloxane

(2S,3R)-3-but-1-en-2-yloxy-2-prop-2-enyloxane (PubChem CID 10954489) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (2S,3R)-3-but-1-en-2-yloxy-2-prop-2-enyloxane.

Molecular Properties

Compound Name(2S,3R)-3-but-1-en-2-yloxy-2-prop-2-enyloxane
PubChem CID10954489
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(2S,3R)-3-but-1-en-2-yloxy-2-prop-2-enyloxane
SMILESC=CC[C@@H]1OCCC[C@H]1OC(=C)CC
InChIInChI=1S/C12H20O2/c1-4-7-11-12(8-6-9-13-11)14-10(3)5-2/h4,11-12H,1,3,5-9H2,2H3/t11-,12+/m0/s1
InChIKeyMUWWXKOPJRXIDQ-NWDGAFQWSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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,3S)-3-but-3-enoxy-2-(pent-4-enoxymethyl)oxane
CID 10634717
(2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane
CID 10680678
(2R,3R,6R)-6-methyl-2-prop-2-enyloxan-3-ol
CID 11030064
(2S,3R)-2-but-3-enyl-3-ethenoxyoxane
CID 102446458
2-(1-Propoxybut-3-en-1-yl)-3,4-dihydro-2H-pyran
CID 19778714

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-but-1-en-2-yloxy-2-prop-2-enyloxane?
The IUPAC name of (2S,3R)-3-but-1-en-2-yloxy-2-prop-2-enyloxane (CID 10954489) is (2S,3R)-3-but-1-en-2-yloxy-2-prop-2-enyloxane.
What is the SMILES notation for (2S,3R)-3-but-1-en-2-yloxy-2-prop-2-enyloxane?
The canonical SMILES for (2S,3R)-3-but-1-en-2-yloxy-2-prop-2-enyloxane is C=CC[C@@H]1OCCC[C@H]1OC(=C)CC.
What is the InChIKey of (2S,3R)-3-but-1-en-2-yloxy-2-prop-2-enyloxane?
The InChIKey is MUWWXKOPJRXIDQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-7-11-12(8-6-9-13-11)14-10(3)5-2/h4,11-12H,1,3,5-9H2,2H3/t11-,12+/m0/s1.
What are the key properties of (2S,3R)-3-but-1-en-2-yloxy-2-prop-2-enyloxane?
(2S,3R)-3-but-1-en-2-yloxy-2-prop-2-enyloxane has a molecular weight of 196.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-but-1-en-2-yloxy-2-prop-2-enyloxane is sourced from PubChem (CID 10954489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).