(1S,2S,5R)-1-ethoxy-2-ethyl-2-methyl-3-oxabicyclo[3.2.0]heptane

C11H20O2 — CID 10241501

IUPAC(1S,2S,5R)-1-ethoxy-2-ethyl-2-methyl-3-oxabicyclo[3.2.0]heptane
SMILESCCO[C@@]12CC[C@@H]1CO[C@@]2(C)CC
InChIInChI=1S/C11H20O2/c1-4-10(3)11(12-5-2)7-6-9(11)8-13-10/h9H,4-8H2,1-3H3/t9-,10+,11+/m1/s1
InChIKeyWBAUTLANQGEWHB-VWYCJHECSA-N
MW184.28 g/mol
LogP2.37
Rot. Bonds3

About (1S,2S,5R)-1-ethoxy-2-ethyl-2-methyl-3-oxabicyclo[3.2.0]heptane

(1S,2S,5R)-1-ethoxy-2-ethyl-2-methyl-3-oxabicyclo[3.2.0]heptane (PubChem CID 10241501) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1S,2S,5R)-1-ethoxy-2-ethyl-2-methyl-3-oxabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1S,2S,5R)-1-ethoxy-2-ethyl-2-methyl-3-oxabicyclo[3.2.0]heptane
PubChem CID10241501
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1S,2S,5R)-1-ethoxy-2-ethyl-2-methyl-3-oxabicyclo[3.2.0]heptane
SMILESCCO[C@@]12CC[C@@H]1CO[C@@]2(C)CC
InChIInChI=1S/C11H20O2/c1-4-10(3)11(12-5-2)7-6-9(11)8-13-10/h9H,4-8H2,1-3H3/t9-,10+,11+/m1/s1
InChIKeyWBAUTLANQGEWHB-VWYCJHECSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 10494171
CID 10494171
1-methyl-2-oxabicyclo[2.2.0]hexane
CID 119098021
2-ethoxy-2-ethyloxirane
CID 87059736
1-ethoxybicyclo[10.1.0]tridecane
CID 154110609
(1S,5R,6S)-1-ethoxy-2,2-dimethyl-6-prop-1-enyl-3-oxabicyclo[3.2.0]heptane
CID 131850975
2,2-diethoxy-1,3-dioxan-5-amine
CID 59657937
1-ethylbicyclo[2.2.0]hexane
CID 90977886
2-ethoxy-3-ethyl-3-methyl-2-propoxyoxane
CID 158466824
ethane;4-ethoxy-4-methyloxane
CID 143599120
(1R,2R,4S,6R,7S,9S,11R,12S)-1,2-diethoxypentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 42602354
2,2,3-triethoxy-3-methyloxane
CID 150971833
2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane
CID 123379170

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-1-ethoxy-2-ethyl-2-methyl-3-oxabicyclo[3.2.0]heptane?
The IUPAC name of (1S,2S,5R)-1-ethoxy-2-ethyl-2-methyl-3-oxabicyclo[3.2.0]heptane (CID 10241501) is (1S,2S,5R)-1-ethoxy-2-ethyl-2-methyl-3-oxabicyclo[3.2.0]heptane.
What is the SMILES notation for (1S,2S,5R)-1-ethoxy-2-ethyl-2-methyl-3-oxabicyclo[3.2.0]heptane?
The canonical SMILES for (1S,2S,5R)-1-ethoxy-2-ethyl-2-methyl-3-oxabicyclo[3.2.0]heptane is CCO[C@@]12CC[C@@H]1CO[C@@]2(C)CC.
What is the InChIKey of (1S,2S,5R)-1-ethoxy-2-ethyl-2-methyl-3-oxabicyclo[3.2.0]heptane?
The InChIKey is WBAUTLANQGEWHB-VWYCJHECSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-10(3)11(12-5-2)7-6-9(11)8-13-10/h9H,4-8H2,1-3H3/t9-,10+,11+/m1/s1.
What are the key properties of (1S,2S,5R)-1-ethoxy-2-ethyl-2-methyl-3-oxabicyclo[3.2.0]heptane?
(1S,2S,5R)-1-ethoxy-2-ethyl-2-methyl-3-oxabicyclo[3.2.0]heptane has a molecular weight of 184.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-1-ethoxy-2-ethyl-2-methyl-3-oxabicyclo[3.2.0]heptane is sourced from PubChem (CID 10241501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).