2,3,4-trimethoxypentane

C8H18O3 — CID 20754115

IUPAC2,3,4-trimethoxypentane
SMILESCOC(C)C(OC)C(C)OC
InChIInChI=1S/C8H18O3/c1-6(9-3)8(11-5)7(2)10-4/h6-8H,1-5H3
InChIKeyZIQZWFLJPBWDTP-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.07
Rot. Bonds5

About 2,3,4-trimethoxypentane

2,3,4-trimethoxypentane (PubChem CID 20754115) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2,3,4-trimethoxypentane.

Molecular Properties

Compound Name2,3,4-trimethoxypentane
PubChem CID20754115
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name2,3,4-trimethoxypentane
SMILESCOC(C)C(OC)C(C)OC
InChIInChI=1S/C8H18O3/c1-6(9-3)8(11-5)7(2)10-4/h6-8H,1-5H3
InChIKeyZIQZWFLJPBWDTP-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4,5-pentamethoxyhexane
CID 529418
3,4,5-trimethoxy-2,6-dimethylheptane
CID 58100186
5,6-dimethoxyheptane-1,3,4-triol
CID 123325898
2-chloro-3-methoxybutane
CID 23424437
2-methoxypropane-1,1-dithiol
CID 57186055
bis((3R,4R)-3,4-dimethoxy-2,5-dimethylhexane);pentakis((3R,4R)-2,3,4,5-tetramethylhexane)
CID 159672418
1,1,3-trimethoxy-2-methylbutane
CID 11275184
2-methoxy-3,4,5-trimethylhexane
CID 123147502
1,2-dimethoxypropan-1-amine
CID 23227937
2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane
CID 87233502
tetrakis(3-methoxybutan-2-ol);titanium
CID 87400575
(2S)-3-methoxy-N-methylbutan-2-amine
CID 122536218

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxypentane?
The IUPAC name of 2,3,4-trimethoxypentane (CID 20754115) is 2,3,4-trimethoxypentane.
What is the SMILES notation for 2,3,4-trimethoxypentane?
The canonical SMILES for 2,3,4-trimethoxypentane is COC(C)C(OC)C(C)OC.
What is the InChIKey of 2,3,4-trimethoxypentane?
The InChIKey is ZIQZWFLJPBWDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-6(9-3)8(11-5)7(2)10-4/h6-8H,1-5H3.
What are the key properties of 2,3,4-trimethoxypentane?
2,3,4-trimethoxypentane has a molecular weight of 162.23 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxypentane is sourced from PubChem (CID 20754115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).