bis(ethane-1,2-diol);1-methoxyheptane

C12H30O5 — CID 91824258

IUPACbis(ethane-1,2-diol);1-methoxyheptane
SMILESCCCCCCCOC.OCCO.OCCO
InChIInChI=1S/C8H18O.2C2H6O2/c1-3-4-5-6-7-8-9-2;2*3-1-2-4/h3-8H2,1-2H3;2*3-4H,1-2H2
InChIKeyLMPFPMWXMWDZOG-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.55
Rot. Bonds8

About bis(ethane-1,2-diol);1-methoxyheptane

bis(ethane-1,2-diol);1-methoxyheptane (PubChem CID 91824258) has the molecular formula C12H30O5 and a molecular weight of 254.37 g/mol. Its IUPAC name is bis(ethane-1,2-diol);1-methoxyheptane.

Molecular Properties

Compound Namebis(ethane-1,2-diol);1-methoxyheptane
PubChem CID91824258
Molecular FormulaC12H30O5
Molecular Weight254.37 g/mol
Exact Mass254.21
IUPAC Namebis(ethane-1,2-diol);1-methoxyheptane
SMILESCCCCCCCOC.OCCO.OCCO
InChIInChI=1S/C8H18O.2C2H6O2/c1-3-4-5-6-7-8-9-2;2*3-1-2-4/h3-8H2,1-2H3;2*3-4H,1-2H2
InChIKeyLMPFPMWXMWDZOG-UHFFFAOYSA-N
XLogP0.55
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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ethane-1,2-diol;1-pentoxyheptane
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5-[hexyl(6-methoxyhexyl)amino]pentan-1-ol
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ethane-1,2-diol;ethoxyethane;1-methoxybutane
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butan-1-ol;1,2-dimethoxyethane
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1-dodecoxydodecane;ethane-1,2-diol;ethene
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Frequently Asked Questions

What is the IUPAC name of bis(ethane-1,2-diol);1-methoxyheptane?
The IUPAC name of bis(ethane-1,2-diol);1-methoxyheptane (CID 91824258) is bis(ethane-1,2-diol);1-methoxyheptane.
What is the SMILES notation for bis(ethane-1,2-diol);1-methoxyheptane?
The canonical SMILES for bis(ethane-1,2-diol);1-methoxyheptane is CCCCCCCOC.OCCO.OCCO.
What is the InChIKey of bis(ethane-1,2-diol);1-methoxyheptane?
The InChIKey is LMPFPMWXMWDZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.2C2H6O2/c1-3-4-5-6-7-8-9-2;2*3-1-2-4/h3-8H2,1-2H3;2*3-4H,1-2H2.
What are the key properties of bis(ethane-1,2-diol);1-methoxyheptane?
bis(ethane-1,2-diol);1-methoxyheptane has a molecular weight of 254.37 g/mol, XLogP of 0.55, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethane-1,2-diol);1-methoxyheptane is sourced from PubChem (CID 91824258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).