2-ethyl-3,4,5,6-tetramethyloxane;2-ethyl-3,4,5-trimethyloxolane;methane;2,3,4,5-tetramethylheptanal

C32H66O3 — CID 159966152

IUPAC2-ethyl-3,4,5,6-tetramethyloxane;2-ethyl-3,4,5-trimethyloxolane;methane;2,3,4,5-tetramethylheptanal
SMILESC.CCC(C)C(C)C(C)C(C)C=O.CCC1OC(C)C(C)C(C)C1C.CCC1OC(C)C(C)C1C
InChIInChI=1S/2C11H22O.C9H18O.CH4/c1-6-11-9(4)7(2)8(3)10(5)12-11;1-6-8(2)10(4)11(5)9(3)7-12;1-5-9-7(3)6(2)8(4)10-9;/h2*7-11H,6H2,1-5H3;6-9H,5H2,1-4H3;1H4
InChIKeyODYNYKFMZIOCEG-UHFFFAOYSA-N
MW498.88 g/mol
LogP9.32
Rot. Bonds7

About 2-ethyl-3,4,5,6-tetramethyloxane;2-ethyl-3,4,5-trimethyloxolane;methane;2,3,4,5-tetramethylheptanal

2-ethyl-3,4,5,6-tetramethyloxane;2-ethyl-3,4,5-trimethyloxolane;methane;2,3,4,5-tetramethylheptanal (PubChem CID 159966152) has the molecular formula C32H66O3 and a molecular weight of 498.88 g/mol. Its IUPAC name is 2-ethyl-3,4,5,6-tetramethyloxane;2-ethyl-3,4,5-trimethyloxolane;methane;2,3,4,5-tetramethylheptanal.

Molecular Properties

Compound Name2-ethyl-3,4,5,6-tetramethyloxane;2-ethyl-3,4,5-trimethyloxolane;methane;2,3,4,5-tetramethylheptanal
PubChem CID159966152
Molecular FormulaC32H66O3
Molecular Weight498.88 g/mol
Exact Mass498.50
IUPAC Name2-ethyl-3,4,5,6-tetramethyloxane;2-ethyl-3,4,5-trimethyloxolane;methane;2,3,4,5-tetramethylheptanal
SMILESC.CCC(C)C(C)C(C)C(C)C=O.CCC1OC(C)C(C)C(C)C1C.CCC1OC(C)C(C)C1C
InChIInChI=1S/2C11H22O.C9H18O.CH4/c1-6-11-9(4)7(2)8(3)10(5)12-11;1-6-8(2)10(4)11(5)9(3)7-12;1-5-9-7(3)6(2)8(4)10-9;/h2*7-11H,6H2,1-5H3;6-9H,5H2,1-4H3;1H4
InChIKeyODYNYKFMZIOCEG-UHFFFAOYSA-N
XLogP9.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.88
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane
CID 59944457
(3S,4R,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91273556
(3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91456258
(3R,4S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 90919001
(2S,3S)-2-ethyl-3,4,5-trimethyloxolane
CID 59088156
2-ethyl-3-[6-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxane
CID 22974905
(2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane
CID 90909875
(3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane
CID 122599287
1-[(3R,5S,6R)-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-2-yl]ethanone
CID 162174979
(3S,4R,6R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxyoxane
CID 122599315
(2R,4R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxyoxane
CID 58794899
CID 160658563
CID 160658563

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4,5,6-tetramethyloxane;2-ethyl-3,4,5-trimethyloxolane;methane;2,3,4,5-tetramethylheptanal?
The IUPAC name of 2-ethyl-3,4,5,6-tetramethyloxane;2-ethyl-3,4,5-trimethyloxolane;methane;2,3,4,5-tetramethylheptanal (CID 159966152) is 2-ethyl-3,4,5,6-tetramethyloxane;2-ethyl-3,4,5-trimethyloxolane;methane;2,3,4,5-tetramethylheptanal.
What is the SMILES notation for 2-ethyl-3,4,5,6-tetramethyloxane;2-ethyl-3,4,5-trimethyloxolane;methane;2,3,4,5-tetramethylheptanal?
The canonical SMILES for 2-ethyl-3,4,5,6-tetramethyloxane;2-ethyl-3,4,5-trimethyloxolane;methane;2,3,4,5-tetramethylheptanal is C.CCC(C)C(C)C(C)C(C)C=O.CCC1OC(C)C(C)C(C)C1C.CCC1OC(C)C(C)C1C.
What is the InChIKey of 2-ethyl-3,4,5,6-tetramethyloxane;2-ethyl-3,4,5-trimethyloxolane;methane;2,3,4,5-tetramethylheptanal?
The InChIKey is ODYNYKFMZIOCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22O.C9H18O.CH4/c1-6-11-9(4)7(2)8(3)10(5)12-11;1-6-8(2)10(4)11(5)9(3)7-12;1-5-9-7(3)6(2)8(4)10-9;/h2*7-11H,6H2,1-5H3;6-9H,5H2,1-4H3;1H4.
What are the key properties of 2-ethyl-3,4,5,6-tetramethyloxane;2-ethyl-3,4,5-trimethyloxolane;methane;2,3,4,5-tetramethylheptanal?
2-ethyl-3,4,5,6-tetramethyloxane;2-ethyl-3,4,5-trimethyloxolane;methane;2,3,4,5-tetramethylheptanal has a molecular weight of 498.88 g/mol, XLogP of 9.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4,5,6-tetramethyloxane;2-ethyl-3,4,5-trimethyloxolane;methane;2,3,4,5-tetramethylheptanal is sourced from PubChem (CID 159966152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).