1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol

C13H28O4 — CID 106992842

IUPAC1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol
SMILESCOCC(C)OCC(O)CCC(O)CC(C)C
InChIInChI=1S/C13H28O4/c1-10(2)7-12(14)5-6-13(15)9-17-11(3)8-16-4/h10-15H,5-9H2,1-4H3
InChIKeyHIMUNELIRABSLM-UHFFFAOYSA-N
MW248.36 g/mol
LogP1.59
Rot. Bonds10

About 1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol

1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol (PubChem CID 106992842) has the molecular formula C13H28O4 and a molecular weight of 248.36 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol
PubChem CID106992842
Molecular FormulaC13H28O4
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol
SMILESCOCC(C)OCC(O)CCC(O)CC(C)C
InChIInChI=1S/C13H28O4/c1-10(2)7-12(14)5-6-13(15)9-17-11(3)8-16-4/h10-15H,5-9H2,1-4H3
InChIKeyHIMUNELIRABSLM-UHFFFAOYSA-N
XLogP1.59
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol
CID 106990337
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-3-methylbutane
CID 140766822
1-(2-amino-2-methylpropoxy)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991230
4-hydroxy-5-(1-methoxypropan-2-yloxy)-2,2-dimethylpentanoic acid
CID 106991570
1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol
CID 169296791
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol
CID 107151910
1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991332
1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991830
1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992328
1-[ethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991712

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol (CID 106992842) is 1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol is COCC(C)OCC(O)CCC(O)CC(C)C.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol?
The InChIKey is HIMUNELIRABSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4/c1-10(2)7-12(14)5-6-13(15)9-17-11(3)8-16-4/h10-15H,5-9H2,1-4H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol?
1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol has a molecular weight of 248.36 g/mol, XLogP of 1.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol is sourced from PubChem (CID 106992842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).