1-(4-propan-2-yloxybutoxy)tetradecane

C21H44O2 — CID 167327232

IUPAC1-(4-propan-2-yloxybutoxy)tetradecane
SMILESCCCCCCCCCCCCCCOCCCCOC(C)C
InChIInChI=1S/C21H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-19-16-17-20-23-21(2)3/h21H,4-20H2,1-3H3
InChIKeyHGUVTPIUUZBHTE-UHFFFAOYSA-N
MW328.58 g/mol
LogP6.91
Rot. Bonds19

About 1-(4-propan-2-yloxybutoxy)tetradecane

1-(4-propan-2-yloxybutoxy)tetradecane (PubChem CID 167327232) has the molecular formula C21H44O2 and a molecular weight of 328.58 g/mol. Its IUPAC name is 1-(4-propan-2-yloxybutoxy)tetradecane.

Molecular Properties

Compound Name1-(4-propan-2-yloxybutoxy)tetradecane
PubChem CID167327232
Molecular FormulaC21H44O2
Molecular Weight328.58 g/mol
Exact Mass328.33
IUPAC Name1-(4-propan-2-yloxybutoxy)tetradecane
SMILESCCCCCCCCCCCCCCOCCCCOC(C)C
InChIInChI=1S/C21H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-19-16-17-20-23-21(2)3/h21H,4-20H2,1-3H3
InChIKeyHGUVTPIUUZBHTE-UHFFFAOYSA-N
XLogP6.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yloxy-N-(2-undecoxyethyl)propan-1-amine
CID 22091458
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1,6-di(propan-2-yloxy)hexane
CID 10899702
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
N-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxybutoxy)tetradecane?
The IUPAC name of 1-(4-propan-2-yloxybutoxy)tetradecane (CID 167327232) is 1-(4-propan-2-yloxybutoxy)tetradecane.
What is the SMILES notation for 1-(4-propan-2-yloxybutoxy)tetradecane?
The canonical SMILES for 1-(4-propan-2-yloxybutoxy)tetradecane is CCCCCCCCCCCCCCOCCCCOC(C)C.
What is the InChIKey of 1-(4-propan-2-yloxybutoxy)tetradecane?
The InChIKey is HGUVTPIUUZBHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-19-16-17-20-23-21(2)3/h21H,4-20H2,1-3H3.
What are the key properties of 1-(4-propan-2-yloxybutoxy)tetradecane?
1-(4-propan-2-yloxybutoxy)tetradecane has a molecular weight of 328.58 g/mol, XLogP of 6.91, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxybutoxy)tetradecane is sourced from PubChem (CID 167327232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).