1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane

C13H28O4 — CID 134479916

IUPAC1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane
SMILESCOCC(COC)CC(COC)COC(C)C
InChIInChI=1S/C13H28O4/c1-11(2)17-10-13(9-16-5)6-12(7-14-3)8-15-4/h11-13H,6-10H2,1-5H3
InChIKeyJXCOCSLISORNSX-UHFFFAOYSA-N
MW248.36 g/mol
LogP1.97
Rot. Bonds11

About 1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane

1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane (PubChem CID 134479916) has the molecular formula C13H28O4 and a molecular weight of 248.36 g/mol. Its IUPAC name is 1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane.

Molecular Properties

Compound Name1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane
PubChem CID134479916
Molecular FormulaC13H28O4
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane
SMILESCOCC(COC)CC(COC)COC(C)C
InChIInChI=1S/C13H28O4/c1-11(2)17-10-13(9-16-5)6-12(7-14-3)8-15-4/h11-13H,6-10H2,1-5H3
InChIKeyJXCOCSLISORNSX-UHFFFAOYSA-N
XLogP1.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane?
The IUPAC name of 1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane (CID 134479916) is 1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane.
What is the SMILES notation for 1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane?
The canonical SMILES for 1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane is COCC(COC)CC(COC)COC(C)C.
What is the InChIKey of 1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane?
The InChIKey is JXCOCSLISORNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4/c1-11(2)17-10-13(9-16-5)6-12(7-14-3)8-15-4/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane?
1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane has a molecular weight of 248.36 g/mol, XLogP of 1.97, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane is sourced from PubChem (CID 134479916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).