4-(4-propan-2-yloxybutoxy)butan-1-ol

C11H24O3 — CID 19930592

IUPAC4-(4-propan-2-yloxybutoxy)butan-1-ol
SMILESCC(C)OCCCCOCCCCO
InChIInChI=1S/C11H24O3/c1-11(2)14-10-6-5-9-13-8-4-3-7-12/h11-12H,3-10H2,1-2H3
InChIKeyUSIQOAFQJROGQV-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.98
Rot. Bonds10

About 4-(4-propan-2-yloxybutoxy)butan-1-ol

4-(4-propan-2-yloxybutoxy)butan-1-ol (PubChem CID 19930592) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-(4-propan-2-yloxybutoxy)butan-1-ol.

Molecular Properties

Compound Name4-(4-propan-2-yloxybutoxy)butan-1-ol
PubChem CID19930592
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name4-(4-propan-2-yloxybutoxy)butan-1-ol
SMILESCC(C)OCCCCOCCCCO
InChIInChI=1S/C11H24O3/c1-11(2)14-10-6-5-9-13-8-4-3-7-12/h11-12H,3-10H2,1-2H3
InChIKeyUSIQOAFQJROGQV-UHFFFAOYSA-N
XLogP1.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.98
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

5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 167653793
2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane
CID 90747134
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87472116
1,6-di(propan-2-yloxy)hexane
CID 10899702
2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
4-(3-ethoxy-3-propan-2-yloxypropoxy)butan-1-ol
CID 91589542
2-[3-(propan-2-yloxymethoxy)propoxy]ethanol
CID 57303789
4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol
CID 87472391
2-butoxypropanoic acid;4-(4-hydroxybutoxy)butan-1-ol
CID 87566742
5-(3-methylbutan-2-yloxy)pentan-1-ol
CID 58556716

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yloxybutoxy)butan-1-ol?
The IUPAC name of 4-(4-propan-2-yloxybutoxy)butan-1-ol (CID 19930592) is 4-(4-propan-2-yloxybutoxy)butan-1-ol.
What is the SMILES notation for 4-(4-propan-2-yloxybutoxy)butan-1-ol?
The canonical SMILES for 4-(4-propan-2-yloxybutoxy)butan-1-ol is CC(C)OCCCCOCCCCO.
What is the InChIKey of 4-(4-propan-2-yloxybutoxy)butan-1-ol?
The InChIKey is USIQOAFQJROGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3/c1-11(2)14-10-6-5-9-13-8-4-3-7-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-(4-propan-2-yloxybutoxy)butan-1-ol?
4-(4-propan-2-yloxybutoxy)butan-1-ol has a molecular weight of 204.31 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yloxybutoxy)butan-1-ol is sourced from PubChem (CID 19930592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).