butoxymethanol;ethane

C9H24O2 — CID 145241108

IUPACbutoxymethanol;ethane
SMILESCC.CC.CCCCOCO
InChIInChI=1S/C5H12O2.2C2H6/c1-2-3-4-7-5-6;2*1-2/h6H,2-5H2,1H3;2*1-2H3
InChIKeyZMZGLBCTFQCCPE-UHFFFAOYSA-N
MW164.29 g/mol
LogP2.81
Rot. Bonds4

About butoxymethanol;ethane

butoxymethanol;ethane (PubChem CID 145241108) has the molecular formula C9H24O2 and a molecular weight of 164.29 g/mol. Its IUPAC name is butoxymethanol;ethane.

Molecular Properties

Compound Namebutoxymethanol;ethane
PubChem CID145241108
Molecular FormulaC9H24O2
Molecular Weight164.29 g/mol
Exact Mass164.18
IUPAC Namebutoxymethanol;ethane
SMILESCC.CC.CCCCOCO
InChIInChI=1S/C5H12O2.2C2H6/c1-2-3-4-7-5-6;2*1-2/h6H,2-5H2,1H3;2*1-2H3
InChIKeyZMZGLBCTFQCCPE-UHFFFAOYSA-N
XLogP2.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butoxymethanol;hafnium
CID 175007375
butoxymethanol;titanium
CID 150795617
2-butoxyethoxymethanol
CID 3019577
butan-1-ol;1-butoxybutane
CID 19700093
1-butoxybutane;3-butoxypropan-1-ol
CID 174728954
2-butoxyethanol
CID 8133
ethane;1-ethoxybutane
CID 143206406
ethane-1,2-diol;1-ethoxybutane
CID 23504299
17-(hydroxymethoxy)heptadecan-7-ol
CID 122659082
ethane;1-(2-propoxyethoxy)butane
CID 164535746
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174801063

Frequently Asked Questions

What is the IUPAC name of butoxymethanol;ethane?
The IUPAC name of butoxymethanol;ethane (CID 145241108) is butoxymethanol;ethane.
What is the SMILES notation for butoxymethanol;ethane?
The canonical SMILES for butoxymethanol;ethane is CC.CC.CCCCOCO.
What is the InChIKey of butoxymethanol;ethane?
The InChIKey is ZMZGLBCTFQCCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.2C2H6/c1-2-3-4-7-5-6;2*1-2/h6H,2-5H2,1H3;2*1-2H3.
What are the key properties of butoxymethanol;ethane?
butoxymethanol;ethane has a molecular weight of 164.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxymethanol;ethane is sourced from PubChem (CID 145241108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).