1,3,3-trimethoxy-2-methylbutane

C8H18O3 — CID 140983867

IUPAC1,3,3-trimethoxy-2-methylbutane
SMILESCOCC(C)C(C)(OC)OC
InChIInChI=1S/C8H18O3/c1-7(6-9-3)8(2,10-4)11-5/h7H,6H2,1-5H3
InChIKeyRGZZMHGYNKSHCV-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.28
Rot. Bonds5

About 1,3,3-trimethoxy-2-methylbutane

1,3,3-trimethoxy-2-methylbutane (PubChem CID 140983867) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 1,3,3-trimethoxy-2-methylbutane.

Molecular Properties

Compound Name1,3,3-trimethoxy-2-methylbutane
PubChem CID140983867
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name1,3,3-trimethoxy-2-methylbutane
SMILESCOCC(C)C(C)(OC)OC
InChIInChI=1S/C8H18O3/c1-7(6-9-3)8(2,10-4)11-5/h7H,6H2,1-5H3
InChIKeyRGZZMHGYNKSHCV-UHFFFAOYSA-N
XLogP1.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2,2,3-trimethylbutanoic acid
CID 79426196
2-ethyl-4-methoxy-2,3-dimethylbutanoic acid
CID 79426238
6-methoxy-4,4,5-trimethylhexan-2-ol
CID 64715140
5-chloro-1-methoxy-2,3,3-trimethylhexane
CID 64717465
1,2,4,4-tetramethoxy-2,3-dimethylpentane
CID 90464397
1-(2-methoxyethoxy)-3,4,4-trimethylpentane
CID 157211030
1,3-dimethoxy-3-methylbutan-2-amine
CID 79569539
(2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
CID 90381386
2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane
CID 162031327
1-methoxy-3,4,4-trimethylpentan-2-amine
CID 131227097
2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine
CID 115624963
1-methoxy-N,4,5,5-tetramethylhexan-2-amine
CID 105008981

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethoxy-2-methylbutane?
The IUPAC name of 1,3,3-trimethoxy-2-methylbutane (CID 140983867) is 1,3,3-trimethoxy-2-methylbutane.
What is the SMILES notation for 1,3,3-trimethoxy-2-methylbutane?
The canonical SMILES for 1,3,3-trimethoxy-2-methylbutane is COCC(C)C(C)(OC)OC.
What is the InChIKey of 1,3,3-trimethoxy-2-methylbutane?
The InChIKey is RGZZMHGYNKSHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-7(6-9-3)8(2,10-4)11-5/h7H,6H2,1-5H3.
What are the key properties of 1,3,3-trimethoxy-2-methylbutane?
1,3,3-trimethoxy-2-methylbutane has a molecular weight of 162.23 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethoxy-2-methylbutane is sourced from PubChem (CID 140983867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).