1-(3-methoxypropoxy)-3-methylbutane

C9H20O2 — CID 18925853

IUPAC1-(3-methoxypropoxy)-3-methylbutane
SMILESCOCCCOCCC(C)C
InChIInChI=1S/C9H20O2/c1-9(2)5-8-11-7-4-6-10-3/h9H,4-8H2,1-3H3
InChIKeyUSECRVFLYYICMH-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.09
Rot. Bonds7

About 1-(3-methoxypropoxy)-3-methylbutane

1-(3-methoxypropoxy)-3-methylbutane (PubChem CID 18925853) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-(3-methoxypropoxy)-3-methylbutane.

Molecular Properties

Compound Name1-(3-methoxypropoxy)-3-methylbutane
PubChem CID18925853
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1-(3-methoxypropoxy)-3-methylbutane
SMILESCOCCCOCCC(C)C
InChIInChI=1S/C9H20O2/c1-9(2)5-8-11-7-4-6-10-3/h9H,4-8H2,1-3H3
InChIKeyUSECRVFLYYICMH-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
CID 161271742
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
3-(bromomethyl)-1-(3-methoxypropoxy)-5-methylhexane
CID 103185020
ethane;1-methoxy-3-methylbutane
CID 144580604
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol
CID 103185077
3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane
CID 139316697

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropoxy)-3-methylbutane?
The IUPAC name of 1-(3-methoxypropoxy)-3-methylbutane (CID 18925853) is 1-(3-methoxypropoxy)-3-methylbutane.
What is the SMILES notation for 1-(3-methoxypropoxy)-3-methylbutane?
The canonical SMILES for 1-(3-methoxypropoxy)-3-methylbutane is COCCCOCCC(C)C.
What is the InChIKey of 1-(3-methoxypropoxy)-3-methylbutane?
The InChIKey is USECRVFLYYICMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-9(2)5-8-11-7-4-6-10-3/h9H,4-8H2,1-3H3.
What are the key properties of 1-(3-methoxypropoxy)-3-methylbutane?
1-(3-methoxypropoxy)-3-methylbutane has a molecular weight of 160.26 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropoxy)-3-methylbutane is sourced from PubChem (CID 18925853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).