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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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).