1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane

C9H20O3 — CID 59866935

IUPAC1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane
SMILESCOCC(C)C(COC)COC
InChIInChI=1S/C9H20O3/c1-8(5-10-2)9(6-11-3)7-12-4/h8-9H,5-7H2,1-4H3
InChIKeyVVHIUKOVJSCFSQ-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.18
Rot. Bonds7

About 1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane

1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane (PubChem CID 59866935) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane.

Molecular Properties

Compound Name1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane
PubChem CID59866935
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane
SMILESCOCC(C)C(COC)COC
InChIInChI=1S/C9H20O3/c1-8(5-10-2)9(6-11-3)7-12-4/h8-9H,5-7H2,1-4H3
InChIKeyVVHIUKOVJSCFSQ-UHFFFAOYSA-N
XLogP1.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-4-methoxy-3-(methoxymethyl)-2-methylbutane
CID 165442887
(2R)-4-methoxy-3-methylbutan-2-amine
CID 134348590
(3S)-3-iodo-1-methoxy-2-methylbutane
CID 88880583
3,4-bis(methoxymethyl)hexane
CID 142709823
(3S)-3-(methoxymethyl)-2-methylpentane
CID 171658474
3-(1-methoxypropan-2-yl)hexane-1-thiol
CID 123776055
4-(bromomethyl)-6-methoxy-5-methylhex-1-ene
CID 165442980
(3S)-3-(methoxymethyl)-2,5-dimethylhexane
CID 121338192
3-bromo-1-methoxy-2,4-dimethylpentane
CID 79298776
ethane;3-(methoxymethyl)-2-methylpentane
CID 142448255
3-(methoxymethyl)pentan-2-amine
CID 66437856
(2R,3R)-4-methoxy-N,N,2,3-tetramethylbutan-1-amine
CID 163903931

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane?
The IUPAC name of 1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane (CID 59866935) is 1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane.
What is the SMILES notation for 1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane?
The canonical SMILES for 1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane is COCC(C)C(COC)COC.
What is the InChIKey of 1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane?
The InChIKey is VVHIUKOVJSCFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-8(5-10-2)9(6-11-3)7-12-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane?
1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane has a molecular weight of 176.26 g/mol, XLogP of 1.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane is sourced from PubChem (CID 59866935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).