1-butoxydodecane

C16H34O — CID 14977258

IUPAC1-butoxydodecane
SMILESCCCCCCCCCCCCOCCCC
InChIInChI=1S/C16H34O/c1-3-5-7-8-9-10-11-12-13-14-16-17-15-6-4-2/h3-16H2,1-2H3
InChIKeyNMMIRFKUKVHGTQ-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.72
Rot. Bonds14

About 1-butoxydodecane

1-butoxydodecane (PubChem CID 14977258) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 1-butoxydodecane.

Molecular Properties

Compound Name1-butoxydodecane
PubChem CID14977258
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name1-butoxydodecane
SMILESCCCCCCCCCCCCOCCCC
InChIInChI=1S/C16H34O/c1-3-5-7-8-9-10-11-12-13-14-16-17-15-6-4-2/h3-16H2,1-2H3
InChIKeyNMMIRFKUKVHGTQ-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 12399
CID 12399
CID 17152
CID 17152
CID 23716
CID 23716
CID 20667
CID 20667
CID 77757
CID 77757
CID 79433
CID 79433
CID 80526
CID 80526
CID 12392
CID 12392
CID 70247
CID 70247
CID 77032
CID 77032
CID 519677
CID 519677
CID 76169
CID 76169

Frequently Asked Questions

What is the IUPAC name of 1-butoxydodecane?
The IUPAC name of 1-butoxydodecane (CID 14977258) is 1-butoxydodecane.
What is the SMILES notation for 1-butoxydodecane?
The canonical SMILES for 1-butoxydodecane is CCCCCCCCCCCCOCCCC.
What is the InChIKey of 1-butoxydodecane?
The InChIKey is NMMIRFKUKVHGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-3-5-7-8-9-10-11-12-13-14-16-17-15-6-4-2/h3-16H2,1-2H3.
What are the key properties of 1-butoxydodecane?
1-butoxydodecane has a molecular weight of 242.45 g/mol, XLogP of 5.72, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxydodecane is sourced from PubChem (CID 14977258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).