1,2,3-trimethoxyhexane

C9H20O3 — CID 542413

IUPAC1,2,3-trimethoxyhexane
SMILESCCCC(OC)C(COC)OC
InChIInChI=1S/C9H20O3/c1-5-6-8(11-3)9(12-4)7-10-2/h8-9H,5-7H2,1-4H3
InChIKeyCYRZKNXBEJFRKM-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.46
Rot. Bonds7

About 1,2,3-trimethoxyhexane

1,2,3-trimethoxyhexane (PubChem CID 542413) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,2,3-trimethoxyhexane.

Molecular Properties

Compound Name1,2,3-trimethoxyhexane
PubChem CID542413
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name1,2,3-trimethoxyhexane
SMILESCCCC(OC)C(COC)OC
InChIInChI=1S/C9H20O3/c1-5-6-8(11-3)9(12-4)7-10-2/h8-9H,5-7H2,1-4H3
InChIKeyCYRZKNXBEJFRKM-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Hexyl glycidyl ether
CID 22213
Ethane, 1-(2-ethoxyethoxy)-2-(hexyloxy)-
CID 84968
1,2-Dimethoxycyclohexane
CID 141528
1,2-Dimethoxycyclohexane, trans-
CID 12950136
1-(2-Methoxyethoxy)hexane
CID 53826430
n-Butyl-dioxane
CID 20133112
1-(2-Butoxyethoxy)hexane
CID 22002879
(2-Butoxyethoxy)cyclohexane
CID 53426944
1,2,6-Trimethoxyhexane
CID 551374
cis-1,2-Dimethoxycyclohexane
CID 12950137
1,2,3-Trimethoxypentane
CID 552243
Hexyl glycidyl ether, (R)-
CID 36691064

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxyhexane?
The IUPAC name of 1,2,3-trimethoxyhexane (CID 542413) is 1,2,3-trimethoxyhexane.
What is the SMILES notation for 1,2,3-trimethoxyhexane?
The canonical SMILES for 1,2,3-trimethoxyhexane is CCCC(OC)C(COC)OC.
What is the InChIKey of 1,2,3-trimethoxyhexane?
The InChIKey is CYRZKNXBEJFRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-5-6-8(11-3)9(12-4)7-10-2/h8-9H,5-7H2,1-4H3.
What are the key properties of 1,2,3-trimethoxyhexane?
1,2,3-trimethoxyhexane has a molecular weight of 176.26 g/mol, XLogP of 1.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxyhexane is sourced from PubChem (CID 542413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).