2-ethyl-3-ethynyl-5-methoxy-4-methyloxolane

C10H16O2 — CID 91273987

IUPAC2-ethyl-3-ethynyl-5-methoxy-4-methyloxolane
SMILESC#CC1C(CC)OC(OC)C1C
InChIInChI=1S/C10H16O2/c1-5-8-7(3)10(11-4)12-9(8)6-2/h1,7-10H,6H2,2-4H3
InChIKeyBYXXVOHJUFIAOV-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.65
Rot. Bonds2

About 2-ethyl-3-ethynyl-5-methoxy-4-methyloxolane

2-ethyl-3-ethynyl-5-methoxy-4-methyloxolane (PubChem CID 91273987) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-ethyl-3-ethynyl-5-methoxy-4-methyloxolane.

Molecular Properties

Compound Name2-ethyl-3-ethynyl-5-methoxy-4-methyloxolane
PubChem CID91273987
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-ethyl-3-ethynyl-5-methoxy-4-methyloxolane
SMILESC#CC1C(CC)OC(OC)C1C
InChIInChI=1S/C10H16O2/c1-5-8-7(3)10(11-4)12-9(8)6-2/h1,7-10H,6H2,2-4H3
InChIKeyBYXXVOHJUFIAOV-UHFFFAOYSA-N
XLogP1.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol
CID 118680820
(3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol
CID 163469681
N-(6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl)-N-methylacetamide
CID 58298704
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
(3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane
CID 58241382
2-ethyl-6-methoxy-5-methyloxan-3-ol
CID 91204206
3,4-diethyl-2-methoxy-5-methyl-6-propyloxane
CID 22948046
ethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol
CID 168912950
(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-[(3R,4S,6S)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
CID 163909769
(3S,4S,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol
CID 158893262
(2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol
CID 122450252

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-ethynyl-5-methoxy-4-methyloxolane?
The IUPAC name of 2-ethyl-3-ethynyl-5-methoxy-4-methyloxolane (CID 91273987) is 2-ethyl-3-ethynyl-5-methoxy-4-methyloxolane.
What is the SMILES notation for 2-ethyl-3-ethynyl-5-methoxy-4-methyloxolane?
The canonical SMILES for 2-ethyl-3-ethynyl-5-methoxy-4-methyloxolane is C#CC1C(CC)OC(OC)C1C.
What is the InChIKey of 2-ethyl-3-ethynyl-5-methoxy-4-methyloxolane?
The InChIKey is BYXXVOHJUFIAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-8-7(3)10(11-4)12-9(8)6-2/h1,7-10H,6H2,2-4H3.
What are the key properties of 2-ethyl-3-ethynyl-5-methoxy-4-methyloxolane?
2-ethyl-3-ethynyl-5-methoxy-4-methyloxolane has a molecular weight of 168.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-ethynyl-5-methoxy-4-methyloxolane is sourced from PubChem (CID 91273987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).