3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane

C13H28O2 — CID 22372611

IUPAC3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane
SMILESCCCOCC(COC)(C(C)C)C(C)C
InChIInChI=1S/C13H28O2/c1-7-8-15-10-13(9-14-6,11(2)3)12(4)5/h11-12H,7-10H2,1-6H3
InChIKeyMMGOYTQOPFVWQU-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.36
Rot. Bonds8

About 3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane

3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane (PubChem CID 22372611) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane.

Molecular Properties

Compound Name3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane
PubChem CID22372611
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane
SMILESCCCOCC(COC)(C(C)C)C(C)C
InChIInChI=1S/C13H28O2/c1-7-8-15-10-13(9-14-6,11(2)3)12(4)5/h11-12H,7-10H2,1-6H3
InChIKeyMMGOYTQOPFVWQU-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.36
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

3-methyl-2-propan-2-yl-2-(propoxymethyl)butan-1-ol
CID 141130192
2-(methoxymethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 139652134
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249
3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane
CID 22373213
2,2-dimethoxy-1-propoxypropane
CID 56997351
3,5-diethyl-4,4-bis(methoxymethyl)heptane
CID 90169994
3-ethyl-3-(propoxymethyl)pentane
CID 21035931
ethane;propane;1-propoxypropane
CID 143757970
4,4-dimethyl-5-propoxypentan-2-amine
CID 79570118
2-methyl-1-propoxypentan-2-ol
CID 80558596
2-methoxy-1-(2-propoxyethoxy)propane
CID 131970313
1-methoxy-2-methyl-2-propoxybutane
CID 122692846

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane?
The IUPAC name of 3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane (CID 22372611) is 3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane.
What is the SMILES notation for 3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane?
The canonical SMILES for 3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane is CCCOCC(COC)(C(C)C)C(C)C.
What is the InChIKey of 3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane?
The InChIKey is MMGOYTQOPFVWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-7-8-15-10-13(9-14-6,11(2)3)12(4)5/h11-12H,7-10H2,1-6H3.
What are the key properties of 3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane?
3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane has a molecular weight of 216.36 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane is sourced from PubChem (CID 22372611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).