4-(2-butoxyethoxy)butane-1,3-diol

C10H22O4 — CID 174811578

IUPAC4-(2-butoxyethoxy)butane-1,3-diol
SMILESCCCCOCCOCC(O)CCO
InChIInChI=1S/C10H22O4/c1-2-3-6-13-7-8-14-9-10(12)4-5-11/h10-12H,2-9H2,1H3
InChIKeyDCICVJSFQXEZJH-UHFFFAOYSA-N
MW206.28 g/mol
LogP0.56
Rot. Bonds10

About 4-(2-butoxyethoxy)butane-1,3-diol

4-(2-butoxyethoxy)butane-1,3-diol (PubChem CID 174811578) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)butane-1,3-diol.

Molecular Properties

Compound Name4-(2-butoxyethoxy)butane-1,3-diol
PubChem CID174811578
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name4-(2-butoxyethoxy)butane-1,3-diol
SMILESCCCCOCCOCC(O)CCO
InChIInChI=1S/C10H22O4/c1-2-3-6-13-7-8-14-9-10(12)4-5-11/h10-12H,2-9H2,1H3
InChIKeyDCICVJSFQXEZJH-UHFFFAOYSA-N
XLogP0.56
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butoxyethoxy)-4-[4-(2-butoxyethoxy)-3-hydroxybutoxy]butan-2-ol
CID 91607283
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-2-ol
CID 140523631
azane;1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol
CID 87459588
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol
CID 140523672
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecan-2-ol
CID 139267706
azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate
CID 173484113
(2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol
CID 40610659
1,4-dioctoxybutan-2-ol
CID 91047029
1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol
CID 104561134
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol
CID 11796902

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)butane-1,3-diol?
The IUPAC name of 4-(2-butoxyethoxy)butane-1,3-diol (CID 174811578) is 4-(2-butoxyethoxy)butane-1,3-diol.
What is the SMILES notation for 4-(2-butoxyethoxy)butane-1,3-diol?
The canonical SMILES for 4-(2-butoxyethoxy)butane-1,3-diol is CCCCOCCOCC(O)CCO.
What is the InChIKey of 4-(2-butoxyethoxy)butane-1,3-diol?
The InChIKey is DCICVJSFQXEZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-2-3-6-13-7-8-14-9-10(12)4-5-11/h10-12H,2-9H2,1H3.
What are the key properties of 4-(2-butoxyethoxy)butane-1,3-diol?
4-(2-butoxyethoxy)butane-1,3-diol has a molecular weight of 206.28 g/mol, XLogP of 0.56, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)butane-1,3-diol is sourced from PubChem (CID 174811578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).