2,4,6-trimethoxyheptane

C10H22O3 — CID 18338394

IUPAC2,4,6-trimethoxyheptane
SMILESCOC(C)CC(CC(C)OC)OC
InChIInChI=1S/C10H22O3/c1-8(11-3)6-10(13-5)7-9(2)12-4/h8-10H,6-7H2,1-5H3
InChIKeyRQUGCRBSUUYPBY-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.85
Rot. Bonds7

About 2,4,6-trimethoxyheptane

2,4,6-trimethoxyheptane (PubChem CID 18338394) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 2,4,6-trimethoxyheptane.

Molecular Properties

Compound Name2,4,6-trimethoxyheptane
PubChem CID18338394
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name2,4,6-trimethoxyheptane
SMILESCOC(C)CC(CC(C)OC)OC
InChIInChI=1S/C10H22O3/c1-8(11-3)6-10(13-5)7-9(2)12-4/h8-10H,6-7H2,1-5H3
InChIKeyRQUGCRBSUUYPBY-UHFFFAOYSA-N
XLogP1.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethoxyheptane?
The IUPAC name of 2,4,6-trimethoxyheptane (CID 18338394) is 2,4,6-trimethoxyheptane.
What is the SMILES notation for 2,4,6-trimethoxyheptane?
The canonical SMILES for 2,4,6-trimethoxyheptane is COC(C)CC(CC(C)OC)OC.
What is the InChIKey of 2,4,6-trimethoxyheptane?
The InChIKey is RQUGCRBSUUYPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-8(11-3)6-10(13-5)7-9(2)12-4/h8-10H,6-7H2,1-5H3.
What are the key properties of 2,4,6-trimethoxyheptane?
2,4,6-trimethoxyheptane has a molecular weight of 190.28 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethoxyheptane is sourced from PubChem (CID 18338394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).