(3R,4aR,7R)-3-ethoxy-7-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran

C11H18O2 — CID 11367387

IUPAC(3R,4aR,7R)-3-ethoxy-7-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran
SMILESCCO[C@H]1C[C@H]2CC[C@@H](C)C2=CO1
InChIInChI=1S/C11H18O2/c1-3-12-11-6-9-5-4-8(2)10(9)7-13-11/h7-9,11H,3-6H2,1-2H3/t8-,9-,11-/m1/s1
InChIKeyOAQTYWMHAQYXQD-FXPVBKGRSA-N
MW182.26 g/mol
LogP2.70
Rot. Bonds2

About (3R,4aR,7R)-3-ethoxy-7-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran

(3R,4aR,7R)-3-ethoxy-7-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran (PubChem CID 11367387) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3R,4aR,7R)-3-ethoxy-7-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran.

Molecular Properties

Compound Name(3R,4aR,7R)-3-ethoxy-7-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran
PubChem CID11367387
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3R,4aR,7R)-3-ethoxy-7-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran
SMILESCCO[C@H]1C[C@H]2CC[C@@H](C)C2=CO1
InChIInChI=1S/C11H18O2/c1-3-12-11-6-9-5-4-8(2)10(9)7-13-11/h7-9,11H,3-6H2,1-2H3/t8-,9-,11-/m1/s1
InChIKeyOAQTYWMHAQYXQD-FXPVBKGRSA-N
XLogP2.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4aR,7R)-3-ethoxy-7-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran?
The IUPAC name of (3R,4aR,7R)-3-ethoxy-7-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran (CID 11367387) is (3R,4aR,7R)-3-ethoxy-7-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran.
What is the SMILES notation for (3R,4aR,7R)-3-ethoxy-7-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran?
The canonical SMILES for (3R,4aR,7R)-3-ethoxy-7-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran is CCO[C@H]1C[C@H]2CC[C@@H](C)C2=CO1.
What is the InChIKey of (3R,4aR,7R)-3-ethoxy-7-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran?
The InChIKey is OAQTYWMHAQYXQD-FXPVBKGRSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-12-11-6-9-5-4-8(2)10(9)7-13-11/h7-9,11H,3-6H2,1-2H3/t8-,9-,11-/m1/s1.
What are the key properties of (3R,4aR,7R)-3-ethoxy-7-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran?
(3R,4aR,7R)-3-ethoxy-7-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran has a molecular weight of 182.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4aR,7R)-3-ethoxy-7-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran is sourced from PubChem (CID 11367387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).