4-(methoxymethoxymethyl)-4-(methoxymethyl)-2,6-dimethylheptane

C14H30O3 — CID 152544826

IUPAC4-(methoxymethoxymethyl)-4-(methoxymethyl)-2,6-dimethylheptane
SMILESCOCOCC(COC)(CC(C)C)CC(C)C
InChIInChI=1S/C14H30O3/c1-12(2)7-14(9-15-5,8-13(3)4)10-17-11-16-6/h12-13H,7-11H2,1-6H3
InChIKeyYMGLSXYMMQHHAE-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.33
Rot. Bonds10

About 4-(methoxymethoxymethyl)-4-(methoxymethyl)-2,6-dimethylheptane

4-(methoxymethoxymethyl)-4-(methoxymethyl)-2,6-dimethylheptane (PubChem CID 152544826) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 4-(methoxymethoxymethyl)-4-(methoxymethyl)-2,6-dimethylheptane.

Molecular Properties

Compound Name4-(methoxymethoxymethyl)-4-(methoxymethyl)-2,6-dimethylheptane
PubChem CID152544826
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name4-(methoxymethoxymethyl)-4-(methoxymethyl)-2,6-dimethylheptane
SMILESCOCOCC(COC)(CC(C)C)CC(C)C
InChIInChI=1S/C14H30O3/c1-12(2)7-14(9-15-5,8-13(3)4)10-17-11-16-6/h12-13H,7-11H2,1-6H3
InChIKeyYMGLSXYMMQHHAE-UHFFFAOYSA-N
XLogP3.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(methoxymethyl)-2,6-dimethyl-4-(prop-2-enoxymethyl)heptane
CID 19985298
1-chloro-2,2-bis(methoxymethyl)-4-methylpentane
CID 19985334
[2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-trimethylsilane
CID 86607184
ethyl-[2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane
CID 87775581
2-(hydroxymethyl)-2-(methoxymethoxymethyl)propane-1,3-diol
CID 13418080
[2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane
CID 141250115
4,4-bis(ethoxymethyl)-2-methylhexane
CID 89107052
2-ethyl-2-(methoxymethoxymethyl)propane-1,3-diol
CID 15066032
4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane
CID 153290238
2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine
CID 139968873
1,3-dimethoxy-2,2-bis(methoxymethyl)propane;1,3-dimethoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)propane;1,3-dimethoxy-2-(methoxymethyl)propane
CID 158311699
bis(2,6-dimethyl-4,4-bis(2-methylpropyl)heptane);methane
CID 159457084

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxymethyl)-4-(methoxymethyl)-2,6-dimethylheptane?
The IUPAC name of 4-(methoxymethoxymethyl)-4-(methoxymethyl)-2,6-dimethylheptane (CID 152544826) is 4-(methoxymethoxymethyl)-4-(methoxymethyl)-2,6-dimethylheptane.
What is the SMILES notation for 4-(methoxymethoxymethyl)-4-(methoxymethyl)-2,6-dimethylheptane?
The canonical SMILES for 4-(methoxymethoxymethyl)-4-(methoxymethyl)-2,6-dimethylheptane is COCOCC(COC)(CC(C)C)CC(C)C.
What is the InChIKey of 4-(methoxymethoxymethyl)-4-(methoxymethyl)-2,6-dimethylheptane?
The InChIKey is YMGLSXYMMQHHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-12(2)7-14(9-15-5,8-13(3)4)10-17-11-16-6/h12-13H,7-11H2,1-6H3.
What are the key properties of 4-(methoxymethoxymethyl)-4-(methoxymethyl)-2,6-dimethylheptane?
4-(methoxymethoxymethyl)-4-(methoxymethyl)-2,6-dimethylheptane has a molecular weight of 246.39 g/mol, XLogP of 3.33, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxymethyl)-4-(methoxymethyl)-2,6-dimethylheptane is sourced from PubChem (CID 152544826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).