1,5-dimethoxypentane-2,4-diol

C7H16O4 — CID 88937884

IUPAC1,5-dimethoxypentane-2,4-diol
SMILESCOCC(O)CC(O)COC
InChIInChI=1S/C7H16O4/c1-10-4-6(8)3-7(9)5-11-2/h6-9H,3-5H2,1-2H3
InChIKeyRDKGJUKWOMKRCR-UHFFFAOYSA-N
MW164.20 g/mol
LogP-0.61
Rot. Bonds6

About 1,5-dimethoxypentane-2,4-diol

1,5-dimethoxypentane-2,4-diol (PubChem CID 88937884) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1,5-dimethoxypentane-2,4-diol.

Molecular Properties

Compound Name1,5-dimethoxypentane-2,4-diol
PubChem CID88937884
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name1,5-dimethoxypentane-2,4-diol
SMILESCOCC(O)CC(O)COC
InChIInChI=1S/C7H16O4/c1-10-4-6(8)3-7(9)5-11-2/h6-9H,3-5H2,1-2H3
InChIKeyRDKGJUKWOMKRCR-UHFFFAOYSA-N
XLogP-0.61
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(18F)fluoro-3-methoxypropan-2-ol
CID 122413426
1-fluoro-3-methoxypropan-2-ol
CID 53422469
methane;1-methoxybutan-2-ol
CID 161499525
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
(2R)-1-methoxy-3-(trideuteriomethoxy)propan-2-ol
CID 138753644
[(2R)-2-hydroxy-3-methoxypropyl] hypochlorite
CID 129235320
4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic acid
CID 103973372
(2R,5S)-6-methoxyhexane-1,2,5-triol
CID 130342864
4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol
CID 177262211
methane;methoxymethanol;3-methoxypropane-1,2-diol
CID 159796691
(2R,4R)-1,4-dimethoxynonan-2-ol
CID 23238601
(3S,5S)-N-butan-2-yl-3,5-dihydroxy-6-methoxyhexanamide
CID 176565208

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxypentane-2,4-diol?
The IUPAC name of 1,5-dimethoxypentane-2,4-diol (CID 88937884) is 1,5-dimethoxypentane-2,4-diol.
What is the SMILES notation for 1,5-dimethoxypentane-2,4-diol?
The canonical SMILES for 1,5-dimethoxypentane-2,4-diol is COCC(O)CC(O)COC.
What is the InChIKey of 1,5-dimethoxypentane-2,4-diol?
The InChIKey is RDKGJUKWOMKRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4/c1-10-4-6(8)3-7(9)5-11-2/h6-9H,3-5H2,1-2H3.
What are the key properties of 1,5-dimethoxypentane-2,4-diol?
1,5-dimethoxypentane-2,4-diol has a molecular weight of 164.20 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxypentane-2,4-diol is sourced from PubChem (CID 88937884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).