4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-ol

C13H26O4 — CID 103035586

IUPAC4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)C1(OC)CCOCC1
InChIInChI=1S/C13H26O4/c1-12(2,15-3)6-5-11(14)13(16-4)7-9-17-10-8-13/h11,14H,5-10H2,1-4H3
InChIKeyOVGQZLJTBWUUQG-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.75
Rot. Bonds6

About 4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-ol

4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-ol (PubChem CID 103035586) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-ol
PubChem CID103035586
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)C1(OC)CCOCC1
InChIInChI=1S/C13H26O4/c1-12(2,15-3)6-5-11(14)13(16-4)7-9-17-10-8-13/h11,14H,5-10H2,1-4H3
InChIKeyOVGQZLJTBWUUQG-UHFFFAOYSA-N
XLogP1.75
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-ol?
The IUPAC name of 4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-ol (CID 103035586) is 4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-ol.
What is the SMILES notation for 4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-ol?
The canonical SMILES for 4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-ol is COC(C)(C)CCC(O)C1(OC)CCOCC1.
What is the InChIKey of 4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-ol?
The InChIKey is OVGQZLJTBWUUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-12(2,15-3)6-5-11(14)13(16-4)7-9-17-10-8-13/h11,14H,5-10H2,1-4H3.
What are the key properties of 4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-ol?
4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-ol is sourced from PubChem (CID 103035586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).