2-(4-butyldecoxy)ethanol

C16H34O2 — CID 166649163

IUPAC2-(4-butyldecoxy)ethanol
SMILESCCCCCCC(CCCC)CCCOCCO
InChIInChI=1S/C16H34O2/c1-3-5-7-8-11-16(10-6-4-2)12-9-14-18-15-13-17/h16-17H,3-15H2,1-2H3
InChIKeyIWTGEYVQNSBYKS-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.55
Rot. Bonds14

About 2-(4-butyldecoxy)ethanol

2-(4-butyldecoxy)ethanol (PubChem CID 166649163) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 2-(4-butyldecoxy)ethanol.

Molecular Properties

Compound Name2-(4-butyldecoxy)ethanol
PubChem CID166649163
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name2-(4-butyldecoxy)ethanol
SMILESCCCCCCC(CCCC)CCCOCCO
InChIInChI=1S/C16H34O2/c1-3-5-7-8-11-16(10-6-4-2)12-9-14-18-15-13-17/h16-17H,3-15H2,1-2H3
InChIKeyIWTGEYVQNSBYKS-UHFFFAOYSA-N
XLogP4.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.55
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

2-[2-[2-[2-[2-(4-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 176653005
2-[2-(5-ethyldecoxy)ethoxy]ethanol
CID 176653086
2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol
CID 176653087
2-tetradecoxyethanol
CID 16491
2-dodecoxyethanol
CID 24750
2-heptoxyethanol
CID 23889
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
15-propyl-1-(15-propylhentriacontoxy)hentriacontane
CID 57489427
2-(2-propylnonoxy)ethanol
CID 168837428
ethane-1,2-diol;2-octoxyethanol
CID 87517178
2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-nonoxynonane
CID 22211981

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyldecoxy)ethanol?
The IUPAC name of 2-(4-butyldecoxy)ethanol (CID 166649163) is 2-(4-butyldecoxy)ethanol.
What is the SMILES notation for 2-(4-butyldecoxy)ethanol?
The canonical SMILES for 2-(4-butyldecoxy)ethanol is CCCCCCC(CCCC)CCCOCCO.
What is the InChIKey of 2-(4-butyldecoxy)ethanol?
The InChIKey is IWTGEYVQNSBYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-3-5-7-8-11-16(10-6-4-2)12-9-14-18-15-13-17/h16-17H,3-15H2,1-2H3.
What are the key properties of 2-(4-butyldecoxy)ethanol?
2-(4-butyldecoxy)ethanol has a molecular weight of 258.45 g/mol, XLogP of 4.55, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyldecoxy)ethanol is sourced from PubChem (CID 166649163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).