1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane

C13H30O3 — CID 170161342

IUPAC1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane
SMILESCOC(C)C.COCC(COC)CC(C)C
InChIInChI=1S/C9H20O2.C4H10O/c1-8(2)5-9(6-10-3)7-11-4;1-4(2)5-3/h8-9H,5-7H2,1-4H3;4H,1-3H3
InChIKeyXAAVIFIYOWONKB-UHFFFAOYSA-N
MW234.38 g/mol
LogP2.98
Rot. Bonds7

About 1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane

1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane (PubChem CID 170161342) has the molecular formula C13H30O3 and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane.

Molecular Properties

Compound Name1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane
PubChem CID170161342
Molecular FormulaC13H30O3
Molecular Weight234.38 g/mol
Exact Mass234.22
IUPAC Name1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane
SMILESCOC(C)C.COCC(COC)CC(C)C
InChIInChI=1S/C9H20O2.C4H10O/c1-8(2)5-9(6-10-3)7-11-4;1-4(2)5-3/h8-9H,5-7H2,1-4H3;4H,1-3H3
InChIKeyXAAVIFIYOWONKB-UHFFFAOYSA-N
XLogP2.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-2-(methoxymethyl)-4-methylpentane
CID 103985154
1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane
CID 134479916
4-ethyl-1-methoxy-2-(methoxymethyl)hexane
CID 174960180
(3S)-3-(methoxymethyl)-2,5-dimethylhexane
CID 121338192
ethane;2-fluoro-1-methoxy-4-methylpentane
CID 170593191
4-methoxy-3-(methoxymethyl)-2,6-dimethylheptane
CID 141015062
CID 88668128
CID 88668128
1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol
CID 106992842
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
4-(ethoxymethyl)-2-methylhexane
CID 157265485
1-methoxy-2-(methoxymethyl)butane
CID 23295181
4-amino-1-methoxy-2,6-dimethylheptan-3-ol
CID 116502132

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane?
The IUPAC name of 1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane (CID 170161342) is 1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane.
What is the SMILES notation for 1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane?
The canonical SMILES for 1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane is COC(C)C.COCC(COC)CC(C)C.
What is the InChIKey of 1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane?
The InChIKey is XAAVIFIYOWONKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2.C4H10O/c1-8(2)5-9(6-10-3)7-11-4;1-4(2)5-3/h8-9H,5-7H2,1-4H3;4H,1-3H3.
What are the key properties of 1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane?
1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane has a molecular weight of 234.38 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane is sourced from PubChem (CID 170161342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).