4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol

C17H36O4 — CID 87472391

IUPAC4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol
SMILESCCCCCOCCCCOCCCCOCCCCO
InChIInChI=1S/C17H36O4/c1-2-3-5-12-19-14-7-9-16-21-17-10-8-15-20-13-6-4-11-18/h18H,2-17H2,1H3
InChIKeyNMPTZVMNTYFLJE-UHFFFAOYSA-N
MW304.47 g/mol
LogP3.56
Rot. Bonds18

About 4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol

4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol (PubChem CID 87472391) has the molecular formula C17H36O4 and a molecular weight of 304.47 g/mol. Its IUPAC name is 4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol.

Molecular Properties

Compound Name4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol
PubChem CID87472391
Molecular FormulaC17H36O4
Molecular Weight304.47 g/mol
Exact Mass304.26
IUPAC Name4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol
SMILESCCCCCOCCCCOCCCCOCCCCO
InChIInChI=1S/C17H36O4/c1-2-3-5-12-19-14-7-9-16-21-17-10-8-15-20-13-6-4-11-18/h18H,2-17H2,1H3
InChIKeyNMPTZVMNTYFLJE-UHFFFAOYSA-N
XLogP3.56
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-nonoxynonan-1-ol
CID 57318642
5-octoxypentan-1-ol
CID 22407981
1-butoxybutane;hexadecan-1-ol;octadecan-1-ol
CID 174405744
ethane-1,2-diol;1-pentoxyheptane
CID 175114778
2-dodecoxyethanol
CID 24750
2-tetradecoxyethanol
CID 16491
2-(2-hydroxyethoxy)ethanol;octan-1-ol
CID 155256848
2-heptoxyethanol
CID 23889
butan-1-ol;1-butoxybutane
CID 19700093
1-butoxybutane;3-butoxypropan-1-ol
CID 174728954
CID 157080015
CID 157080015
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol?
The IUPAC name of 4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol (CID 87472391) is 4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol.
What is the SMILES notation for 4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol?
The canonical SMILES for 4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol is CCCCCOCCCCOCCCCOCCCCO.
What is the InChIKey of 4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol?
The InChIKey is NMPTZVMNTYFLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4/c1-2-3-5-12-19-14-7-9-16-21-17-10-8-15-20-13-6-4-11-18/h18H,2-17H2,1H3.
What are the key properties of 4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol?
4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol has a molecular weight of 304.47 g/mol, XLogP of 3.56, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol is sourced from PubChem (CID 87472391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).