5-(1,1-dimethoxybutan-2-yl)-3-ethyl-2-methoxy-6-methyloxane

C15H30O4 — CID 23591689

IUPAC5-(1,1-dimethoxybutan-2-yl)-3-ethyl-2-methoxy-6-methyloxane
SMILESCCC1CC(C(CC)C(OC)OC)C(C)OC1OC
InChIInChI=1S/C15H30O4/c1-7-11-9-13(10(3)19-14(11)16-4)12(8-2)15(17-5)18-6/h10-15H,7-9H2,1-6H3
InChIKeyQQMUYORANGRQPM-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.06
Rot. Bonds7

About 5-(1,1-dimethoxybutan-2-yl)-3-ethyl-2-methoxy-6-methyloxane

5-(1,1-dimethoxybutan-2-yl)-3-ethyl-2-methoxy-6-methyloxane (PubChem CID 23591689) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 5-(1,1-dimethoxybutan-2-yl)-3-ethyl-2-methoxy-6-methyloxane.

Molecular Properties

Compound Name5-(1,1-dimethoxybutan-2-yl)-3-ethyl-2-methoxy-6-methyloxane
PubChem CID23591689
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name5-(1,1-dimethoxybutan-2-yl)-3-ethyl-2-methoxy-6-methyloxane
SMILESCCC1CC(C(CC)C(OC)OC)C(C)OC1OC
InChIInChI=1S/C15H30O4/c1-7-11-9-13(10(3)19-14(11)16-4)12(8-2)15(17-5)18-6/h10-15H,7-9H2,1-6H3
InChIKeyQQMUYORANGRQPM-UHFFFAOYSA-N
XLogP3.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,6R,11R)-2-(methoxymethoxymethyl)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecane
CID 44303223
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane
CID 10879776
(3S,6R)-2-ethyl-6-methoxy-3,4,5-trimethyloxane
CID 60011074
(2R,3R,4R,5R,6S)-2,5-diethyl-3-fluoro-6-methoxy-4-methyloxane
CID 58349951
2-Ethyl-3-fluoro-6-methoxy-4-methyl-5-propyloxane
CID 90702155
2-(7-Methylnonoxy)oxane
CID 122382103
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane
CID 10857607
(5R)-7,8-dimethyl-1,6-dioxaspiro[4.5]decane
CID 134858477
(2S,4R,8S)-2,8-dimethoxy-4,10-dimethyl-1,7-dioxaspiro[5.5]undecane
CID 134858704
magnesium;(2S,3R)-3-methanidyl-2-pentyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;bromide
CID 134860031
(3S,3aS,7aR)-2-pentyl-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
CID 134903506
(2S,3R,4S,6S)-6-(iodomethyl)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3-methyloxane
CID 135038231

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dimethoxybutan-2-yl)-3-ethyl-2-methoxy-6-methyloxane?
The IUPAC name of 5-(1,1-dimethoxybutan-2-yl)-3-ethyl-2-methoxy-6-methyloxane (CID 23591689) is 5-(1,1-dimethoxybutan-2-yl)-3-ethyl-2-methoxy-6-methyloxane.
What is the SMILES notation for 5-(1,1-dimethoxybutan-2-yl)-3-ethyl-2-methoxy-6-methyloxane?
The canonical SMILES for 5-(1,1-dimethoxybutan-2-yl)-3-ethyl-2-methoxy-6-methyloxane is CCC1CC(C(CC)C(OC)OC)C(C)OC1OC.
What is the InChIKey of 5-(1,1-dimethoxybutan-2-yl)-3-ethyl-2-methoxy-6-methyloxane?
The InChIKey is QQMUYORANGRQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-7-11-9-13(10(3)19-14(11)16-4)12(8-2)15(17-5)18-6/h10-15H,7-9H2,1-6H3.
What are the key properties of 5-(1,1-dimethoxybutan-2-yl)-3-ethyl-2-methoxy-6-methyloxane?
5-(1,1-dimethoxybutan-2-yl)-3-ethyl-2-methoxy-6-methyloxane has a molecular weight of 274.40 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dimethoxybutan-2-yl)-3-ethyl-2-methoxy-6-methyloxane is sourced from PubChem (CID 23591689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).