1,2-dimethoxy-5,5-dimethylhexane

C10H22O2 — CID 154608131

IUPAC1,2-dimethoxy-5,5-dimethylhexane
SMILESCOCC(CCC(C)(C)C)OC
InChIInChI=1S/C10H22O2/c1-10(2,3)7-6-9(12-5)8-11-4/h9H,6-8H2,1-5H3
InChIKeyXGNDCSLCJQOLDQ-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.47
Rot. Bonds5

About 1,2-dimethoxy-5,5-dimethylhexane

1,2-dimethoxy-5,5-dimethylhexane (PubChem CID 154608131) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1,2-dimethoxy-5,5-dimethylhexane.

Molecular Properties

Compound Name1,2-dimethoxy-5,5-dimethylhexane
PubChem CID154608131
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1,2-dimethoxy-5,5-dimethylhexane
SMILESCOCC(CCC(C)(C)C)OC
InChIInChI=1S/C10H22O2/c1-10(2,3)7-6-9(12-5)8-11-4/h9H,6-8H2,1-5H3
InChIKeyXGNDCSLCJQOLDQ-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methoxy-5,5-dimethyl-1-pent-1-en-2-yloxyhexane
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2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine
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(E)-5-methoxy-8,8-dimethylnon-2-enal
CID 87291744
(5S)-2-amino-5,7-dimethoxyheptan-2-ol
CID 148760665
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1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane
CID 158785130
potassium tert-butyl(2,3-dimethoxypropyl)azanide
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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-5,5-dimethylhexane?
The IUPAC name of 1,2-dimethoxy-5,5-dimethylhexane (CID 154608131) is 1,2-dimethoxy-5,5-dimethylhexane.
What is the SMILES notation for 1,2-dimethoxy-5,5-dimethylhexane?
The canonical SMILES for 1,2-dimethoxy-5,5-dimethylhexane is COCC(CCC(C)(C)C)OC.
What is the InChIKey of 1,2-dimethoxy-5,5-dimethylhexane?
The InChIKey is XGNDCSLCJQOLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-10(2,3)7-6-9(12-5)8-11-4/h9H,6-8H2,1-5H3.
What are the key properties of 1,2-dimethoxy-5,5-dimethylhexane?
1,2-dimethoxy-5,5-dimethylhexane has a molecular weight of 174.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-5,5-dimethylhexane is sourced from PubChem (CID 154608131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).