1,6-dimethoxy-6-methylheptane

C10H22O2 — CID 89190127

IUPAC1,6-dimethoxy-6-methylheptane
SMILESCOCCCCCC(C)(C)OC
InChIInChI=1S/C10H22O2/c1-10(2,12-4)8-6-5-7-9-11-3/h5-9H2,1-4H3
InChIKeyRLTHKXGUSZGMSF-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.62
Rot. Bonds7

About 1,6-dimethoxy-6-methylheptane

1,6-dimethoxy-6-methylheptane (PubChem CID 89190127) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1,6-dimethoxy-6-methylheptane.

Molecular Properties

Compound Name1,6-dimethoxy-6-methylheptane
PubChem CID89190127
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1,6-dimethoxy-6-methylheptane
SMILESCOCCCCCC(C)(C)OC
InChIInChI=1S/C10H22O2/c1-10(2,12-4)8-6-5-7-9-11-3/h5-9H2,1-4H3
InChIKeyRLTHKXGUSZGMSF-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.62
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

7-methoxy-7-methyloctan-1-ol
CID 175444354
6-methoxy-2-methylhexan-2-amine
CID 94975413
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
6-methoxy-2,2-dimethylhexan-1-amine
CID 104649285
3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine
CID 106675103
7-methoxy-3-methylheptan-3-amine
CID 104650485
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
1,4,4-trimethoxytridecane
CID 150006661
1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide
CID 111607254
(1,6-dimethoxy-6-methylheptan-3-yl)hydrazine
CID 103026405
4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
CID 170009716

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethoxy-6-methylheptane?
The IUPAC name of 1,6-dimethoxy-6-methylheptane (CID 89190127) is 1,6-dimethoxy-6-methylheptane.
What is the SMILES notation for 1,6-dimethoxy-6-methylheptane?
The canonical SMILES for 1,6-dimethoxy-6-methylheptane is COCCCCCC(C)(C)OC.
What is the InChIKey of 1,6-dimethoxy-6-methylheptane?
The InChIKey is RLTHKXGUSZGMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-10(2,12-4)8-6-5-7-9-11-3/h5-9H2,1-4H3.
What are the key properties of 1,6-dimethoxy-6-methylheptane?
1,6-dimethoxy-6-methylheptane has a molecular weight of 174.28 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxy-6-methylheptane is sourced from PubChem (CID 89190127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).