1,2,3,4,5-pentamethoxy-6-propan-2-yloxyhexane

C14H30O6 — CID 123753623

IUPAC1,2,3,4,5-pentamethoxy-6-propan-2-yloxyhexane
SMILESCOCC(OC)C(OC)C(OC)C(COC(C)C)OC
InChIInChI=1S/C14H30O6/c1-10(2)20-9-12(17-5)14(19-7)13(18-6)11(16-4)8-15-3/h10-14H,8-9H2,1-7H3
InChIKeyGUSCVSMGOBNZRB-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.12
Rot. Bonds12

About 1,2,3,4,5-pentamethoxy-6-propan-2-yloxyhexane

1,2,3,4,5-pentamethoxy-6-propan-2-yloxyhexane (PubChem CID 123753623) has the molecular formula C14H30O6 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethoxy-6-propan-2-yloxyhexane.

Molecular Properties

Compound Name1,2,3,4,5-pentamethoxy-6-propan-2-yloxyhexane
PubChem CID123753623
Molecular FormulaC14H30O6
Molecular Weight294.39 g/mol
Exact Mass294.20
IUPAC Name1,2,3,4,5-pentamethoxy-6-propan-2-yloxyhexane
SMILESCOCC(OC)C(OC)C(OC)C(COC(C)C)OC
InChIInChI=1S/C14H30O6/c1-10(2)20-9-12(17-5)14(19-7)13(18-6)11(16-4)8-15-3/h10-14H,8-9H2,1-7H3
InChIKeyGUSCVSMGOBNZRB-UHFFFAOYSA-N
XLogP1.12
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane
CID 88544683
(2R,4R)-1,2,3,4,5-pentamethoxypentane
CID 90327969
1,2,3,4,5-pentamethoxyhexane
CID 529418
1,2,3-trimethoxy-4-methylpentane
CID 23384640
(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol
CID 15689262
1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane
CID 134479916
1-methoxy-2-methyl-3-[2-methyl-3-(2-methyl-3-propan-2-yloxypropoxy)propoxy]propane
CID 155228803
(2S)-1-methoxy-3-propan-2-yloxypropan-2-amine
CID 164877074
(3S)-1,2,3-trimethoxypentane
CID 167509153
(3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane
CID 59693568
(2R,3S)-1-iodo-1-methoxy-2-methyl-3,4-di(propan-2-yloxy)butane
CID 146498069
[(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate
CID 14825854

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethoxy-6-propan-2-yloxyhexane?
The IUPAC name of 1,2,3,4,5-pentamethoxy-6-propan-2-yloxyhexane (CID 123753623) is 1,2,3,4,5-pentamethoxy-6-propan-2-yloxyhexane.
What is the SMILES notation for 1,2,3,4,5-pentamethoxy-6-propan-2-yloxyhexane?
The canonical SMILES for 1,2,3,4,5-pentamethoxy-6-propan-2-yloxyhexane is COCC(OC)C(OC)C(OC)C(COC(C)C)OC.
What is the InChIKey of 1,2,3,4,5-pentamethoxy-6-propan-2-yloxyhexane?
The InChIKey is GUSCVSMGOBNZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O6/c1-10(2)20-9-12(17-5)14(19-7)13(18-6)11(16-4)8-15-3/h10-14H,8-9H2,1-7H3.
What are the key properties of 1,2,3,4,5-pentamethoxy-6-propan-2-yloxyhexane?
1,2,3,4,5-pentamethoxy-6-propan-2-yloxyhexane has a molecular weight of 294.39 g/mol, XLogP of 1.12, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethoxy-6-propan-2-yloxyhexane is sourced from PubChem (CID 123753623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).