3-ethyl-2,6,7-trimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran

C13H24O2 — CID 23522644

IUPAC3-ethyl-2,6,7-trimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran
SMILESCCC1CC2CC(C)C(C)OC2OC1C
InChIInChI=1S/C13H24O2/c1-5-11-7-12-6-8(2)9(3)14-13(12)15-10(11)4/h8-13H,5-7H2,1-4H3
InChIKeyIPWORJWCPCTDDV-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.21
Rot. Bonds1

About 3-ethyl-2,6,7-trimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran

3-ethyl-2,6,7-trimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran (PubChem CID 23522644) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3-ethyl-2,6,7-trimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran.

Molecular Properties

Compound Name3-ethyl-2,6,7-trimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran
PubChem CID23522644
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3-ethyl-2,6,7-trimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran
SMILESCCC1CC2CC(C)C(C)OC2OC1C
InChIInChI=1S/C13H24O2/c1-5-11-7-12-6-8(2)9(3)14-13(12)15-10(11)4/h8-13H,5-7H2,1-4H3
InChIKeyIPWORJWCPCTDDV-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,6,7-trimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran?
The IUPAC name of 3-ethyl-2,6,7-trimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran (CID 23522644) is 3-ethyl-2,6,7-trimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran.
What is the SMILES notation for 3-ethyl-2,6,7-trimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran?
The canonical SMILES for 3-ethyl-2,6,7-trimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran is CCC1CC2CC(C)C(C)OC2OC1C.
What is the InChIKey of 3-ethyl-2,6,7-trimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran?
The InChIKey is IPWORJWCPCTDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-11-7-12-6-8(2)9(3)14-13(12)15-10(11)4/h8-13H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-2,6,7-trimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran?
3-ethyl-2,6,7-trimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran has a molecular weight of 212.33 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,6,7-trimethyl-2,3,4,4a,5,6,7,8a-octahydropyrano[2,3-b]pyran is sourced from PubChem (CID 23522644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).