3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]oxan-4-ol

C15H30O6 — CID 104564775

IUPAC3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]oxan-4-ol
SMILESCCCCOCCOCCOCCOC1COCCC1O
InChIInChI=1S/C15H30O6/c1-2-3-5-17-7-8-18-9-10-19-11-12-21-15-13-20-6-4-14(15)16/h14-16H,2-13H2,1H3
InChIKeyCBLQNSHKEDBUHT-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.00
Rot. Bonds13

About 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]oxan-4-ol

3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]oxan-4-ol (PubChem CID 104564775) has the molecular formula C15H30O6 and a molecular weight of 306.40 g/mol. Its IUPAC name is 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]oxan-4-ol.

Molecular Properties

Compound Name3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]oxan-4-ol
PubChem CID104564775
Molecular FormulaC15H30O6
Molecular Weight306.40 g/mol
Exact Mass306.20
IUPAC Name3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]oxan-4-ol
SMILESCCCCOCCOCCOCCOC1COCCC1O
InChIInChI=1S/C15H30O6/c1-2-3-5-17-7-8-18-9-10-19-11-12-21-15-13-20-6-4-14(15)16/h14-16H,2-13H2,1H3
InChIKeyCBLQNSHKEDBUHT-UHFFFAOYSA-N
XLogP1.00
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-methoxyethoxy)ethoxy]oxan-4-ol
CID 104564677
3-(2-butoxyethoxy)-2-ethoxycyclobutan-1-ol
CID 104675355
2-butoxycyclobutan-1-ol
CID 123438323
3-(2-propoxyethoxy)-N-propyloxan-4-amine
CID 55234053
2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 104561873
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine
CID 106469054
1-butoxybutane;2-methyloxirane;oxirane
CID 129186869
[(2R,3S)-3,4-bis(2-dodecoxyethoxy)oxolan-2-yl]methanol
CID 166042635
3-(2-butoxyethyl)-4-chlorooxane
CID 106471474
cis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol
CID 10891991
3-butoxy-4-iodooxolane
CID 114772097
3-[[butyl(methyl)amino]methyl]oxan-4-ol
CID 103061166

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]oxan-4-ol?
The IUPAC name of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]oxan-4-ol (CID 104564775) is 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]oxan-4-ol.
What is the SMILES notation for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]oxan-4-ol?
The canonical SMILES for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]oxan-4-ol is CCCCOCCOCCOCCOC1COCCC1O.
What is the InChIKey of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]oxan-4-ol?
The InChIKey is CBLQNSHKEDBUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O6/c1-2-3-5-17-7-8-18-9-10-19-11-12-21-15-13-20-6-4-14(15)16/h14-16H,2-13H2,1H3.
What are the key properties of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]oxan-4-ol?
3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]oxan-4-ol has a molecular weight of 306.40 g/mol, XLogP of 1.00, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]oxan-4-ol is sourced from PubChem (CID 104564775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).