1-butoxybutane;3-butoxypropan-1-ol

C15H34O3 — CID 174728954

IUPAC1-butoxybutane;3-butoxypropan-1-ol
SMILESCCCCOCCCC.CCCCOCCCO
InChIInChI=1S/C8H18O.C7H16O2/c1-3-5-7-9-8-6-4-2;1-2-3-6-9-7-4-5-8/h3-8H2,1-2H3;8H,2-7H2,1H3
InChIKeyNZDZUZMZBBHPSI-UHFFFAOYSA-N
MW262.43 g/mol
LogP3.79
Rot. Bonds12

About 1-butoxybutane;3-butoxypropan-1-ol

1-butoxybutane;3-butoxypropan-1-ol (PubChem CID 174728954) has the molecular formula C15H34O3 and a molecular weight of 262.43 g/mol. Its IUPAC name is 1-butoxybutane;3-butoxypropan-1-ol.

Molecular Properties

Compound Name1-butoxybutane;3-butoxypropan-1-ol
PubChem CID174728954
Molecular FormulaC15H34O3
Molecular Weight262.43 g/mol
Exact Mass262.25
IUPAC Name1-butoxybutane;3-butoxypropan-1-ol
SMILESCCCCOCCCC.CCCCOCCCO
InChIInChI=1S/C8H18O.C7H16O2/c1-3-5-7-9-8-6-4-2;1-2-3-6-9-7-4-5-8/h3-8H2,1-2H3;8H,2-7H2,1H3
InChIKeyNZDZUZMZBBHPSI-UHFFFAOYSA-N
XLogP3.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butan-1-ol;1-butoxybutane
CID 19700093
1-butoxybutane;hexadecan-1-ol;octadecan-1-ol
CID 174405744
2-butoxyethanol
CID 8133
acetic acid;3-butoxypropan-1-ol
CID 71441465
3-[3-(3-propoxypropoxy)propoxy]propan-1-ol
CID 4249185
4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol
CID 87472391
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174801063
9-nonoxynonan-1-ol
CID 57318642
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
5-octoxypentan-1-ol
CID 22407981
2-butoxyethanol;molecular nitrogen
CID 86737982
acetic acid;butane-1,4-diol;1-butoxybutane
CID 87650498

Frequently Asked Questions

What is the IUPAC name of 1-butoxybutane;3-butoxypropan-1-ol?
The IUPAC name of 1-butoxybutane;3-butoxypropan-1-ol (CID 174728954) is 1-butoxybutane;3-butoxypropan-1-ol.
What is the SMILES notation for 1-butoxybutane;3-butoxypropan-1-ol?
The canonical SMILES for 1-butoxybutane;3-butoxypropan-1-ol is CCCCOCCCC.CCCCOCCCO.
What is the InChIKey of 1-butoxybutane;3-butoxypropan-1-ol?
The InChIKey is NZDZUZMZBBHPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C7H16O2/c1-3-5-7-9-8-6-4-2;1-2-3-6-9-7-4-5-8/h3-8H2,1-2H3;8H,2-7H2,1H3.
What are the key properties of 1-butoxybutane;3-butoxypropan-1-ol?
1-butoxybutane;3-butoxypropan-1-ol has a molecular weight of 262.43 g/mol, XLogP of 3.79, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxybutane;3-butoxypropan-1-ol is sourced from PubChem (CID 174728954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).