methoxymethane;octane-1,8-diol

C10H24O3 — CID 175193596

IUPACmethoxymethane;octane-1,8-diol
SMILESCOC.OCCCCCCCCO
InChIInChI=1S/C8H18O2.C2H6O/c9-7-5-3-1-2-4-6-8-10;1-3-2/h9-10H,1-8H2;1-2H3
InChIKeyDQSHOJOTSHDKSK-UHFFFAOYSA-N
MW192.30 g/mol
LogP1.57
Rot. Bonds7

About methoxymethane;octane-1,8-diol

methoxymethane;octane-1,8-diol (PubChem CID 175193596) has the molecular formula C10H24O3 and a molecular weight of 192.30 g/mol. Its IUPAC name is methoxymethane;octane-1,8-diol.

Molecular Properties

Compound Namemethoxymethane;octane-1,8-diol
PubChem CID175193596
Molecular FormulaC10H24O3
Molecular Weight192.30 g/mol
Exact Mass192.17
IUPAC Namemethoxymethane;octane-1,8-diol
SMILESCOC.OCCCCCCCCO
InChIInChI=1S/C8H18O2.C2H6O/c9-7-5-3-1-2-4-6-8-10;1-3-2/h9-10H,1-8H2;1-2H3
InChIKeyDQSHOJOTSHDKSK-UHFFFAOYSA-N
XLogP1.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
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heptane-1,7-diol;nonane-1,9-diol
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tricosane-1,23-diol
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dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
methoxymethane;tridec-12-en-1-ol
CID 87674016
CID 158555375
CID 158555375
hexane-1,6-diol;hydroiodide
CID 175146639
methanediol;pentane-1,5-diol
CID 90027781
methane;tridecane-1,13-diol
CID 174975453

Frequently Asked Questions

What is the IUPAC name of methoxymethane;octane-1,8-diol?
The IUPAC name of methoxymethane;octane-1,8-diol (CID 175193596) is methoxymethane;octane-1,8-diol.
What is the SMILES notation for methoxymethane;octane-1,8-diol?
The canonical SMILES for methoxymethane;octane-1,8-diol is COC.OCCCCCCCCO.
What is the InChIKey of methoxymethane;octane-1,8-diol?
The InChIKey is DQSHOJOTSHDKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2.C2H6O/c9-7-5-3-1-2-4-6-8-10;1-3-2/h9-10H,1-8H2;1-2H3.
What are the key properties of methoxymethane;octane-1,8-diol?
methoxymethane;octane-1,8-diol has a molecular weight of 192.30 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;octane-1,8-diol is sourced from PubChem (CID 175193596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).