2-(2-methoxyethoxymethoxy)-6-methylheptane

C12H26O3 — CID 12653649

IUPAC2-(2-methoxyethoxymethoxy)-6-methylheptane
SMILESCOCCOCOC(C)CCCC(C)C
InChIInChI=1S/C12H26O3/c1-11(2)6-5-7-12(3)15-10-14-9-8-13-4/h11-12H,5-10H2,1-4H3
InChIKeyYVBVFCWEKCWOTD-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.84
Rot. Bonds10

About 2-(2-methoxyethoxymethoxy)-6-methylheptane

2-(2-methoxyethoxymethoxy)-6-methylheptane (PubChem CID 12653649) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(2-methoxyethoxymethoxy)-6-methylheptane.

Molecular Properties

Compound Name2-(2-methoxyethoxymethoxy)-6-methylheptane
PubChem CID12653649
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name2-(2-methoxyethoxymethoxy)-6-methylheptane
SMILESCOCCOCOC(C)CCCC(C)C
InChIInChI=1S/C12H26O3/c1-11(2)6-5-7-12(3)15-10-14-9-8-13-4/h11-12H,5-10H2,1-4H3
InChIKeyYVBVFCWEKCWOTD-UHFFFAOYSA-N
XLogP2.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.84
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

1-(2-methoxyethoxymethoxy)-4-methylpentane
CID 157079781
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-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane
CID 158254668
1-(methoxymethoxy)-6-methylheptane
CID 54450331
1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine
CID 87791179
4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine
CID 103406337
1-methoxy-4,8-dimethylnonane
CID 90974533
2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide
CID 86977751
N-(2-methoxyethoxy)-3-methylbutan-1-amine
CID 82711034
2-(2-methoxyethoxy)octadecane
CID 89276167
2-(2-methoxyethoxymethoxy)propanal
CID 13202440
methane;1-methoxy-2,5-dimethylhexane;1-(2-methoxyethoxy)-2,5-dimethylhexane
CID 161045370

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxymethoxy)-6-methylheptane?
The IUPAC name of 2-(2-methoxyethoxymethoxy)-6-methylheptane (CID 12653649) is 2-(2-methoxyethoxymethoxy)-6-methylheptane.
What is the SMILES notation for 2-(2-methoxyethoxymethoxy)-6-methylheptane?
The canonical SMILES for 2-(2-methoxyethoxymethoxy)-6-methylheptane is COCCOCOC(C)CCCC(C)C.
What is the InChIKey of 2-(2-methoxyethoxymethoxy)-6-methylheptane?
The InChIKey is YVBVFCWEKCWOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-11(2)6-5-7-12(3)15-10-14-9-8-13-4/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-(2-methoxyethoxymethoxy)-6-methylheptane?
2-(2-methoxyethoxymethoxy)-6-methylheptane has a molecular weight of 218.34 g/mol, XLogP of 2.84, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxymethoxy)-6-methylheptane is sourced from PubChem (CID 12653649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).