(2S,4aR,8aS)-2-ethenyl-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran

C10H14O2 — CID 132969000

IUPAC(2S,4aR,8aS)-2-ethenyl-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran
SMILESC=C[C@H]1C=C[C@H]2OCCC[C@@H]2O1
InChIInChI=1S/C10H14O2/c1-2-8-5-6-9-10(12-8)4-3-7-11-9/h2,5-6,8-10H,1,3-4,7H2/t8-,9+,10-/m0/s1
InChIKeyUBUIJCXZZZZVCZ-AEJSXWLSSA-N
MW166.22 g/mol
LogP1.67
Rot. Bonds1

About (2S,4aR,8aS)-2-ethenyl-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran

(2S,4aR,8aS)-2-ethenyl-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran (PubChem CID 132969000) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (2S,4aR,8aS)-2-ethenyl-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran.

Molecular Properties

Compound Name(2S,4aR,8aS)-2-ethenyl-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran
PubChem CID132969000
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(2S,4aR,8aS)-2-ethenyl-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran
SMILESC=C[C@H]1C=C[C@H]2OCCC[C@@H]2O1
InChIInChI=1S/C10H14O2/c1-2-8-5-6-9-10(12-8)4-3-7-11-9/h2,5-6,8-10H,1,3-4,7H2/t8-,9+,10-/m0/s1
InChIKeyUBUIJCXZZZZVCZ-AEJSXWLSSA-N
XLogP1.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,4aR,8aS)-2-ethenyl-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran with MolForge

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Related Compounds

(2R,4aR,6S,8aS)-6-ethenyl-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine
CID 132969002
(4aR,8aS)-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran
CID 15329988
(1R,3S,8R,11S,13R,18S,20R)-20-methyl-2,7,12,17-tetraoxatetracyclo[9.9.0.03,8.013,18]icos-9-ene
CID 11162208
(1R,3S,8R,11S,13R,14S)-13-ethenyl-2,7,12-trioxatricyclo[9.5.0.03,8]hexadecan-14-ol
CID 11807695
(1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene
CID 10727868
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
CID 23848053
(2S,3S)-2-prop-2-enoxyoxan-3-ol
CID 130770210
2-(oxiran-2-yl)oxolane
CID 18759351
(2S,3R)-2-prop-2-enyloxan-3-ol
CID 14917728
(2S,3R)-3-ethenyl-2-methyloxane
CID 139439800
(2R,3S)-3-ethenyl-2-methyloxane
CID 134995886
2,3,4,4a,6,8a-hexahydrochromen-5-one
CID 90111544

Frequently Asked Questions

What is the IUPAC name of (2S,4aR,8aS)-2-ethenyl-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
The IUPAC name of (2S,4aR,8aS)-2-ethenyl-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran (CID 132969000) is (2S,4aR,8aS)-2-ethenyl-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran.
What is the SMILES notation for (2S,4aR,8aS)-2-ethenyl-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
The canonical SMILES for (2S,4aR,8aS)-2-ethenyl-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran is C=C[C@H]1C=C[C@H]2OCCC[C@@H]2O1.
What is the InChIKey of (2S,4aR,8aS)-2-ethenyl-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
The InChIKey is UBUIJCXZZZZVCZ-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-8-5-6-9-10(12-8)4-3-7-11-9/h2,5-6,8-10H,1,3-4,7H2/t8-,9+,10-/m0/s1.
What are the key properties of (2S,4aR,8aS)-2-ethenyl-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran?
(2S,4aR,8aS)-2-ethenyl-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran has a molecular weight of 166.22 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aR,8aS)-2-ethenyl-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran is sourced from PubChem (CID 132969000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).