(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane

C13H22O3 — CID 134857983

IUPAC(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane
SMILESCO[C@@H]1CCC[C@@H](C=CC2CCCCO2)O1
InChIInChI=1S/C13H22O3/c1-14-13-7-4-6-12(16-13)9-8-11-5-2-3-10-15-11/h8-9,11-13H,2-7,10H2,1H3/t11?,12-,13-/m0/s1
InChIKeyVDSZLHXWQLJTPL-SPOOISQMSA-N
MW226.32 g/mol
LogP2.65
Rot. Bonds3

About (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane

(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane (PubChem CID 134857983) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane.

Molecular Properties

Compound Name(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane
PubChem CID134857983
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane
SMILESCO[C@@H]1CCC[C@@H](C=CC2CCCCO2)O1
InChIInChI=1S/C13H22O3/c1-14-13-7-4-6-12(16-13)9-8-11-5-2-3-10-15-11/h8-9,11-13H,2-7,10H2,1H3/t11?,12-,13-/m0/s1
InChIKeyVDSZLHXWQLJTPL-SPOOISQMSA-N
XLogP2.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,7-Dioxaspiro[5.5]undec-4-ene
CID 565984
2-Oct-1-en-3-yloxyoxane
CID 10727282
1,6-Dioxaspiro[4.5]dec-3-ene
CID 13841628
(6R)-1,7-dioxaspiro[5.5]undec-4-ene
CID 13841635
4-Methylene-6-(2-methylprop-1-enyl)-2-ethoxy-tetrahydro-2h-pyran
CID 129745543
2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane
CID 134858588
(Z)-1-(1-ethoxyethoxy)-4-methoxyoct-2-ene
CID 134887433
(2R,7R)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine
CID 134950601
(2R,7S)-7-cyclohexyloxy-2-methyl-2,3,4,7-tetrahydrooxepine
CID 134966614
bromozinc(1+);2-[(3E)-deca-1,3-dien-5-yl]oxyoxane
CID 135075875
8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane
CID 162415276
(4S,6S,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 162415278

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane?
The IUPAC name of (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane (CID 134857983) is (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane.
What is the SMILES notation for (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane?
The canonical SMILES for (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane is CO[C@@H]1CCC[C@@H](C=CC2CCCCO2)O1.
What is the InChIKey of (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane?
The InChIKey is VDSZLHXWQLJTPL-SPOOISQMSA-N. The full InChI is InChI=1S/C13H22O3/c1-14-13-7-4-6-12(16-13)9-8-11-5-2-3-10-15-11/h8-9,11-13H,2-7,10H2,1H3/t11?,12-,13-/m0/s1.
What are the key properties of (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane?
(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane has a molecular weight of 226.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane is sourced from PubChem (CID 134857983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).