1-methoxy-2-[[3-[2-(methoxymethyl)pentoxy]-2-methylpropoxy]methyl]pentane

C18H38O4 — CID 22081181

IUPAC1-methoxy-2-[[3-[2-(methoxymethyl)pentoxy]-2-methylpropoxy]methyl]pentane
SMILESCCCC(COC)COCC(C)COCC(CCC)COC
InChIInChI=1S/C18H38O4/c1-6-8-17(12-19-4)14-21-10-16(3)11-22-15-18(9-7-2)13-20-5/h16-18H,6-15H2,1-5H3
InChIKeyXMPPDPHDEHXJEL-UHFFFAOYSA-N
MW318.50 g/mol
LogP3.78
Rot. Bonds16

About 1-methoxy-2-[[3-[2-(methoxymethyl)pentoxy]-2-methylpropoxy]methyl]pentane

1-methoxy-2-[[3-[2-(methoxymethyl)pentoxy]-2-methylpropoxy]methyl]pentane (PubChem CID 22081181) has the molecular formula C18H38O4 and a molecular weight of 318.50 g/mol. Its IUPAC name is 1-methoxy-2-[[3-[2-(methoxymethyl)pentoxy]-2-methylpropoxy]methyl]pentane.

Molecular Properties

Compound Name1-methoxy-2-[[3-[2-(methoxymethyl)pentoxy]-2-methylpropoxy]methyl]pentane
PubChem CID22081181
Molecular FormulaC18H38O4
Molecular Weight318.50 g/mol
Exact Mass318.28
IUPAC Name1-methoxy-2-[[3-[2-(methoxymethyl)pentoxy]-2-methylpropoxy]methyl]pentane
SMILESCCCC(COC)COCC(C)COCC(CCC)COC
InChIInChI=1S/C18H38O4/c1-6-8-17(12-19-4)14-21-10-16(3)11-22-15-18(9-7-2)13-20-5/h16-18H,6-15H2,1-5H3
InChIKeyXMPPDPHDEHXJEL-UHFFFAOYSA-N
XLogP3.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[[3-[2-(methoxymethyl)pentoxy]-2-methylpropoxy]methyl]pentane?
The IUPAC name of 1-methoxy-2-[[3-[2-(methoxymethyl)pentoxy]-2-methylpropoxy]methyl]pentane (CID 22081181) is 1-methoxy-2-[[3-[2-(methoxymethyl)pentoxy]-2-methylpropoxy]methyl]pentane.
What is the SMILES notation for 1-methoxy-2-[[3-[2-(methoxymethyl)pentoxy]-2-methylpropoxy]methyl]pentane?
The canonical SMILES for 1-methoxy-2-[[3-[2-(methoxymethyl)pentoxy]-2-methylpropoxy]methyl]pentane is CCCC(COC)COCC(C)COCC(CCC)COC.
What is the InChIKey of 1-methoxy-2-[[3-[2-(methoxymethyl)pentoxy]-2-methylpropoxy]methyl]pentane?
The InChIKey is XMPPDPHDEHXJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4/c1-6-8-17(12-19-4)14-21-10-16(3)11-22-15-18(9-7-2)13-20-5/h16-18H,6-15H2,1-5H3.
What are the key properties of 1-methoxy-2-[[3-[2-(methoxymethyl)pentoxy]-2-methylpropoxy]methyl]pentane?
1-methoxy-2-[[3-[2-(methoxymethyl)pentoxy]-2-methylpropoxy]methyl]pentane has a molecular weight of 318.50 g/mol, XLogP of 3.78, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[[3-[2-(methoxymethyl)pentoxy]-2-methylpropoxy]methyl]pentane is sourced from PubChem (CID 22081181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).