3-(3-butan-2-yloxypropoxy)-3-butoxypropan-1-ol

C14H30O4 — CID 90890219

IUPAC3-(3-butan-2-yloxypropoxy)-3-butoxypropan-1-ol
SMILESCCCCOC(CCO)OCCCOC(C)CC
InChIInChI=1S/C14H30O4/c1-4-6-10-17-14(8-9-15)18-12-7-11-16-13(3)5-2/h13-15H,4-12H2,1-3H3
InChIKeyINBKZCJYZDLQGA-UHFFFAOYSA-N
MW262.39 g/mol
LogP2.73
Rot. Bonds13

About 3-(3-butan-2-yloxypropoxy)-3-butoxypropan-1-ol

3-(3-butan-2-yloxypropoxy)-3-butoxypropan-1-ol (PubChem CID 90890219) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is 3-(3-butan-2-yloxypropoxy)-3-butoxypropan-1-ol.

Molecular Properties

Compound Name3-(3-butan-2-yloxypropoxy)-3-butoxypropan-1-ol
PubChem CID90890219
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name3-(3-butan-2-yloxypropoxy)-3-butoxypropan-1-ol
SMILESCCCCOC(CCO)OCCCOC(C)CC
InChIInChI=1S/C14H30O4/c1-4-6-10-17-14(8-9-15)18-12-7-11-16-13(3)5-2/h13-15H,4-12H2,1-3H3
InChIKeyINBKZCJYZDLQGA-UHFFFAOYSA-N
XLogP2.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-[(2R)-butan-2-yl]oxypropan-1-ol
CID 5315839
1,1,4,4-tetrabutoxybutane
CID 139887225
7-butan-2-yloxyheptan-1-ol
CID 90727194
1-butan-2-yloxy-1-butoxybutane
CID 19964023
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
2-butoxyhexane;ethane
CID 144590910
1,1-dibutoxyoctane
CID 54557001
2-butoxyethanol;2-butoxypropan-1-ol
CID 162121003
3-(1-butoxyethoxy)propan-1-ol
CID 54457983
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 88651680
3-nonoxypentan-1-ol
CID 141114457
(Z)-11,11-dibutoxyundec-3-en-1-ol
CID 163205863

Frequently Asked Questions

What is the IUPAC name of 3-(3-butan-2-yloxypropoxy)-3-butoxypropan-1-ol?
The IUPAC name of 3-(3-butan-2-yloxypropoxy)-3-butoxypropan-1-ol (CID 90890219) is 3-(3-butan-2-yloxypropoxy)-3-butoxypropan-1-ol.
What is the SMILES notation for 3-(3-butan-2-yloxypropoxy)-3-butoxypropan-1-ol?
The canonical SMILES for 3-(3-butan-2-yloxypropoxy)-3-butoxypropan-1-ol is CCCCOC(CCO)OCCCOC(C)CC.
What is the InChIKey of 3-(3-butan-2-yloxypropoxy)-3-butoxypropan-1-ol?
The InChIKey is INBKZCJYZDLQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-4-6-10-17-14(8-9-15)18-12-7-11-16-13(3)5-2/h13-15H,4-12H2,1-3H3.
What are the key properties of 3-(3-butan-2-yloxypropoxy)-3-butoxypropan-1-ol?
3-(3-butan-2-yloxypropoxy)-3-butoxypropan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 2.73, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butan-2-yloxypropoxy)-3-butoxypropan-1-ol is sourced from PubChem (CID 90890219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).