ethane;1-methoxyethanol

C13H38O2 — CID 157348595

IUPACethane;1-methoxyethanol
SMILESCC.CC.CC.CC.CC.COC(C)O
InChIInChI=1S/C3H8O2.5C2H6/c1-3(4)5-2;5*1-2/h3-4H,1-2H3;5*1-2H3
InChIKeyBHGNZHYMHWEYLS-UHFFFAOYSA-N
MW226.44 g/mol
LogP5.10
Rot. Bonds1

About ethane;1-methoxyethanol

ethane;1-methoxyethanol (PubChem CID 157348595) has the molecular formula C13H38O2 and a molecular weight of 226.44 g/mol. Its IUPAC name is ethane;1-methoxyethanol.

Molecular Properties

Compound Nameethane;1-methoxyethanol
PubChem CID157348595
Molecular FormulaC13H38O2
Molecular Weight226.44 g/mol
Exact Mass226.29
IUPAC Nameethane;1-methoxyethanol
SMILESCC.CC.CC.CC.CC.COC(C)O
InChIInChI=1S/C3H8O2.5C2H6/c1-3(4)5-2;5*1-2/h3-4H,1-2H3;5*1-2H3
InChIKeyBHGNZHYMHWEYLS-UHFFFAOYSA-N
XLogP5.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.44
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 160975249
CID 160975249
ethane;tetrakis(propan-2-ol)
CID 174681393
methanol;methoxymethanediol
CID 162244729
tetrakis(3-methoxybutan-2-ol);titanium
CID 87400575
O-methylhydroxylamine;propan-2-ol
CID 159942363
bromo(methoxy)methanol
CID 54225350
1-hydroxyethyl hypobromite
CID 141268184
1-(1-hydroxyethoxyperoxy)ethanol
CID 87454274
2,2-dimethoxyethane-1,1-diol
CID 14146820
(2R,4S)-4-methoxypentan-2-ol
CID 59003340
(1R)-1-methoxy-2-methylbutan-1-ol
CID 88580756
1-methoxyethylphosphane
CID 18189169

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxyethanol?
The IUPAC name of ethane;1-methoxyethanol (CID 157348595) is ethane;1-methoxyethanol.
What is the SMILES notation for ethane;1-methoxyethanol?
The canonical SMILES for ethane;1-methoxyethanol is CC.CC.CC.CC.CC.COC(C)O.
What is the InChIKey of ethane;1-methoxyethanol?
The InChIKey is BHGNZHYMHWEYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.5C2H6/c1-3(4)5-2;5*1-2/h3-4H,1-2H3;5*1-2H3.
What are the key properties of ethane;1-methoxyethanol?
ethane;1-methoxyethanol has a molecular weight of 226.44 g/mol, XLogP of 5.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxyethanol is sourced from PubChem (CID 157348595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).