3,4-bis(methoxymethyl)hexane

C10H22O2 — CID 142709823

IUPAC3,4-bis(methoxymethyl)hexane
SMILESCCC(COC)C(CC)COC
InChIInChI=1S/C10H22O2/c1-5-9(7-11-3)10(6-2)8-12-4/h9-10H,5-8H2,1-4H3
InChIKeyVNNXUIUAVPKNJT-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.33
Rot. Bonds7

About 3,4-bis(methoxymethyl)hexane

3,4-bis(methoxymethyl)hexane (PubChem CID 142709823) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3,4-bis(methoxymethyl)hexane.

Molecular Properties

Compound Name3,4-bis(methoxymethyl)hexane
PubChem CID142709823
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3,4-bis(methoxymethyl)hexane
SMILESCCC(COC)C(CC)COC
InChIInChI=1S/C10H22O2/c1-5-9(7-11-3)10(6-2)8-12-4/h9-10H,5-8H2,1-4H3
InChIKeyVNNXUIUAVPKNJT-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(methoxymethyl)-2-methylpentane
CID 171658474
ethane;3-(methoxymethyl)-2-methylpentane
CID 142448255
3-(methoxymethyl)pentan-2-amine
CID 66437856
4-(methoxymethyl)-2-methylhexan-3-amine
CID 79298395
3-bromo-4-(methoxymethyl)-2-methylhexane
CID 79298879
3-ethyl-1-methoxypentan-2-ol
CID 79568083
3-(methoxymethyl)heptan-4-ol
CID 83051551
1-methoxy-2-(methoxymethyl)butane
CID 23295181
[1-methoxy-3-(methoxymethyl)pentan-2-yl]cyclopentane
CID 142709893
2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol
CID 170068950
1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane
CID 58765891
1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane
CID 59866935

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(methoxymethyl)hexane?
The IUPAC name of 3,4-bis(methoxymethyl)hexane (CID 142709823) is 3,4-bis(methoxymethyl)hexane.
What is the SMILES notation for 3,4-bis(methoxymethyl)hexane?
The canonical SMILES for 3,4-bis(methoxymethyl)hexane is CCC(COC)C(CC)COC.
What is the InChIKey of 3,4-bis(methoxymethyl)hexane?
The InChIKey is VNNXUIUAVPKNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-9(7-11-3)10(6-2)8-12-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 3,4-bis(methoxymethyl)hexane?
3,4-bis(methoxymethyl)hexane has a molecular weight of 174.28 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(methoxymethyl)hexane is sourced from PubChem (CID 142709823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).