5-octoxypentan-1-ol

C13H28O2 — CID 22407981

IUPAC5-octoxypentan-1-ol
SMILESCCCCCCCCOCCCCCO
InChIInChI=1S/C13H28O2/c1-2-3-4-5-6-9-12-15-13-10-7-8-11-14/h14H,2-13H2,1H3
InChIKeyVUAUIQVVYMXLND-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.53
Rot. Bonds12

About 5-octoxypentan-1-ol

5-octoxypentan-1-ol (PubChem CID 22407981) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 5-octoxypentan-1-ol.

Molecular Properties

Compound Name5-octoxypentan-1-ol
PubChem CID22407981
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name5-octoxypentan-1-ol
SMILESCCCCCCCCOCCCCCO
InChIInChI=1S/C13H28O2/c1-2-3-4-5-6-9-12-15-13-10-7-8-11-14/h14H,2-13H2,1H3
InChIKeyVUAUIQVVYMXLND-UHFFFAOYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol
CID 87472391
1-butoxybutane;hexadecan-1-ol;octadecan-1-ol
CID 174405744
ethane-1,2-diol;1-pentoxyheptane
CID 175114778
2-heptoxyethanol
CID 23889
2-dodecoxyethanol
CID 24750
2-tetradecoxyethanol
CID 16491
2-(2-hydroxyethoxy)ethanol;octan-1-ol
CID 155256848
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-nonoxynonane
CID 22211981
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597034

Frequently Asked Questions

What is the IUPAC name of 5-octoxypentan-1-ol?
The IUPAC name of 5-octoxypentan-1-ol (CID 22407981) is 5-octoxypentan-1-ol.
What is the SMILES notation for 5-octoxypentan-1-ol?
The canonical SMILES for 5-octoxypentan-1-ol is CCCCCCCCOCCCCCO.
What is the InChIKey of 5-octoxypentan-1-ol?
The InChIKey is VUAUIQVVYMXLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-2-3-4-5-6-9-12-15-13-10-7-8-11-14/h14H,2-13H2,1H3.
What are the key properties of 5-octoxypentan-1-ol?
5-octoxypentan-1-ol has a molecular weight of 216.36 g/mol, XLogP of 3.53, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-octoxypentan-1-ol is sourced from PubChem (CID 22407981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).