2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;2-ethyl-3,4,5,6-tetramethyloxane

C20H38O2 — CID 143913242

IUPAC2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;2-ethyl-3,4,5,6-tetramethyloxane
SMILESCCC1OC(C)C(C)C(C)C1C.CCC1OC=CC(C)C1C
InChIInChI=1S/C11H22O.C9H16O/c1-6-11-9(4)7(2)8(3)10(5)12-11;1-4-9-8(3)7(2)5-6-10-9/h7-11H,6H2,1-5H3;5-9H,4H2,1-3H3
InChIKeyXSRDDWVNOKGTJE-UHFFFAOYSA-N
MW310.52 g/mol
LogP5.67
Rot. Bonds2

About 2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;2-ethyl-3,4,5,6-tetramethyloxane

2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;2-ethyl-3,4,5,6-tetramethyloxane (PubChem CID 143913242) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;2-ethyl-3,4,5,6-tetramethyloxane.

Molecular Properties

Compound Name2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;2-ethyl-3,4,5,6-tetramethyloxane
PubChem CID143913242
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;2-ethyl-3,4,5,6-tetramethyloxane
SMILESCCC1OC(C)C(C)C(C)C1C.CCC1OC=CC(C)C1C
InChIInChI=1S/C11H22O.C9H16O/c1-6-11-9(4)7(2)8(3)10(5)12-11;1-4-9-8(3)7(2)5-6-10-9/h7-11H,6H2,1-5H3;5-9H,4H2,1-3H3
InChIKeyXSRDDWVNOKGTJE-UHFFFAOYSA-N
XLogP5.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thromboxene
CID 57129285
(2R,4S,4aS)-2,4-dimethyl-3,4,4a,5,6,7-hexahydro-2H-chromene
CID 134895871
1-but-3-enyl-4-[2-[4-[(E)-hex-1-enoxy]cyclohexyl]ethyl]cyclohexane
CID 19834837
1-but-3-enyl-4-[4-[(E)-hex-1-enoxy]cyclohexyl]cyclohexane
CID 19834847
1-[(E)-but-1-enoxy]-4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexane
CID 19834848
1-[(E)-but-1-enoxy]-4-(4-but-3-enylcyclohexyl)cyclohexane
CID 19834852
1-but-3-enyl-4-[2-[4-[(E)-pent-1-enoxy]cyclohexyl]ethyl]cyclohexane
CID 19834853
1-but-3-enyl-4-[4-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane
CID 19834871
2-But-3-enyl-3-methyl-2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan
CID 20430947
3-Oct-1-enoxybutylcyclohexane
CID 57057316
2-Oct-1-enoxybutylcyclohexane
CID 57122972
1-Oct-1-enoxypropylcyclohexane
CID 57124495

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;2-ethyl-3,4,5,6-tetramethyloxane?
The IUPAC name of 2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;2-ethyl-3,4,5,6-tetramethyloxane (CID 143913242) is 2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;2-ethyl-3,4,5,6-tetramethyloxane.
What is the SMILES notation for 2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;2-ethyl-3,4,5,6-tetramethyloxane?
The canonical SMILES for 2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;2-ethyl-3,4,5,6-tetramethyloxane is CCC1OC(C)C(C)C(C)C1C.CCC1OC=CC(C)C1C.
What is the InChIKey of 2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;2-ethyl-3,4,5,6-tetramethyloxane?
The InChIKey is XSRDDWVNOKGTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O.C9H16O/c1-6-11-9(4)7(2)8(3)10(5)12-11;1-4-9-8(3)7(2)5-6-10-9/h7-11H,6H2,1-5H3;5-9H,4H2,1-3H3.
What are the key properties of 2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;2-ethyl-3,4,5,6-tetramethyloxane?
2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;2-ethyl-3,4,5,6-tetramethyloxane has a molecular weight of 310.52 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran;2-ethyl-3,4,5,6-tetramethyloxane is sourced from PubChem (CID 143913242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).