1-(2-ethylbutoxy)decane

C16H34O — CID 22002893

IUPAC1-(2-ethylbutoxy)decane
SMILESCCCCCCCCCCOCC(CC)CC
InChIInChI=1S/C16H34O/c1-4-7-8-9-10-11-12-13-14-17-15-16(5-2)6-3/h16H,4-15H2,1-3H3
InChIKeyHMHFZSICPHACQI-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.58
Rot. Bonds13

About 1-(2-ethylbutoxy)decane

1-(2-ethylbutoxy)decane (PubChem CID 22002893) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 1-(2-ethylbutoxy)decane.

Molecular Properties

Compound Name1-(2-ethylbutoxy)decane
PubChem CID22002893
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name1-(2-ethylbutoxy)decane
SMILESCCCCCCCCCCOCC(CC)CC
InChIInChI=1S/C16H34O/c1-4-7-8-9-10-11-12-13-14-17-15-16(5-2)6-3/h16H,4-15H2,1-3H3
InChIKeyHMHFZSICPHACQI-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.58
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

(2R)-2-(hexadecoxymethyl)butan-1-ol
CID 134215286
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814
9-(tetradecoxymethyl)nonadecane
CID 142746550
2-(decoxymethyl)propane-1,3-diol
CID 138675067
10-(butoxymethyl)henicosane
CID 87840055
8-(2-ethylhexoxy)octan-1-amine
CID 87537137
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
(2S)-1-octoxybutan-2-ol
CID 88988399

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutoxy)decane?
The IUPAC name of 1-(2-ethylbutoxy)decane (CID 22002893) is 1-(2-ethylbutoxy)decane.
What is the SMILES notation for 1-(2-ethylbutoxy)decane?
The canonical SMILES for 1-(2-ethylbutoxy)decane is CCCCCCCCCCOCC(CC)CC.
What is the InChIKey of 1-(2-ethylbutoxy)decane?
The InChIKey is HMHFZSICPHACQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-4-7-8-9-10-11-12-13-14-17-15-16(5-2)6-3/h16H,4-15H2,1-3H3.
What are the key properties of 1-(2-ethylbutoxy)decane?
1-(2-ethylbutoxy)decane has a molecular weight of 242.45 g/mol, XLogP of 5.58, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutoxy)decane is sourced from PubChem (CID 22002893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).