1,2,3,4,5-pentamethoxyhexane

C11H24O5 — CID 529418

IUPAC1,2,3,4,5-pentamethoxyhexane
SMILESCOCC(OC)C(OC)C(OC)C(C)OC
InChIInChI=1S/C11H24O5/c1-8(13-3)10(15-5)11(16-6)9(14-4)7-12-2/h8-11H,7H2,1-6H3
InChIKeyBYHPANAHLMUKFI-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.71
Rot. Bonds9

About 1,2,3,4,5-pentamethoxyhexane

1,2,3,4,5-pentamethoxyhexane (PubChem CID 529418) has the molecular formula C11H24O5 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethoxyhexane.

Molecular Properties

Compound Name1,2,3,4,5-pentamethoxyhexane
PubChem CID529418
Molecular FormulaC11H24O5
Molecular Weight236.31 g/mol
Exact Mass236.16
IUPAC Name1,2,3,4,5-pentamethoxyhexane
SMILESCOCC(OC)C(OC)C(OC)C(C)OC
InChIInChI=1S/C11H24O5/c1-8(13-3)10(15-5)11(16-6)9(14-4)7-12-2/h8-11H,7H2,1-6H3
InChIKeyBYHPANAHLMUKFI-UHFFFAOYSA-N
XLogP0.71
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,2,3,4,5-pentamethoxyhexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4R)-1,2,3,4,5-pentamethoxypentane
CID 90327969
1,2,3-trimethoxy-4-methylpentane
CID 23384640
1,2,3,4,5-pentamethoxy-6-propan-2-yloxyhexane
CID 123753623
(3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane
CID 88544683
(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol
CID 15689262
2,3,4-trimethoxypentane
CID 20754115
(3S)-1,2,3-trimethoxypentane
CID 167509153
(3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane
CID 59693568
[(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate
CID 14825854
methyl 2,4,5,6,7-pentamethoxyheptanoate
CID 582206
CID 59269731
CID 59269731
[(2R,3S,4R,5S)-4,5-diacetyloxy-2,3-dimethoxyhexyl] acetate
CID 175639897

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethoxyhexane?
The IUPAC name of 1,2,3,4,5-pentamethoxyhexane (CID 529418) is 1,2,3,4,5-pentamethoxyhexane.
What is the SMILES notation for 1,2,3,4,5-pentamethoxyhexane?
The canonical SMILES for 1,2,3,4,5-pentamethoxyhexane is COCC(OC)C(OC)C(OC)C(C)OC.
What is the InChIKey of 1,2,3,4,5-pentamethoxyhexane?
The InChIKey is BYHPANAHLMUKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O5/c1-8(13-3)10(15-5)11(16-6)9(14-4)7-12-2/h8-11H,7H2,1-6H3.
What are the key properties of 1,2,3,4,5-pentamethoxyhexane?
1,2,3,4,5-pentamethoxyhexane has a molecular weight of 236.31 g/mol, XLogP of 0.71, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethoxyhexane is sourced from PubChem (CID 529418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).