2-butoxyethoxymethanol

C7H16O3 — CID 3019577

IUPAC2-butoxyethoxymethanol
SMILESCCCCOCCOCO
InChIInChI=1S/C7H16O3/c1-2-3-4-9-5-6-10-7-8/h8H,2-7H2,1H3
InChIKeyCUZYKBDJOKMPFH-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.77
Rot. Bonds7

About 2-butoxyethoxymethanol

2-butoxyethoxymethanol (PubChem CID 3019577) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-butoxyethoxymethanol.

Molecular Properties

Compound Name2-butoxyethoxymethanol
PubChem CID3019577
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name2-butoxyethoxymethanol
SMILESCCCCOCCOCO
InChIInChI=1S/C7H16O3/c1-2-3-4-9-5-6-10-7-8/h8H,2-7H2,1H3
InChIKeyCUZYKBDJOKMPFH-UHFFFAOYSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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;ethane
CID 145241108
butoxymethanol;titanium
CID 150795617
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
butan-1-ol;1-butoxybutane
CID 19700093
1-butoxybutane;3-butoxypropan-1-ol
CID 174728954
2-butoxyethanol
CID 8133
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1,10-bis(2-butoxyethoxy)decane
CID 90257337
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethoxymethanol?
The IUPAC name of 2-butoxyethoxymethanol (CID 3019577) is 2-butoxyethoxymethanol.
What is the SMILES notation for 2-butoxyethoxymethanol?
The canonical SMILES for 2-butoxyethoxymethanol is CCCCOCCOCO.
What is the InChIKey of 2-butoxyethoxymethanol?
The InChIKey is CUZYKBDJOKMPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-2-3-4-9-5-6-10-7-8/h8H,2-7H2,1H3.
What are the key properties of 2-butoxyethoxymethanol?
2-butoxyethoxymethanol has a molecular weight of 148.20 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethoxymethanol is sourced from PubChem (CID 3019577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).