1-ethoxy-3,5,5-trimethylhexane

C11H24O — CID 22002848

IUPAC1-ethoxy-3,5,5-trimethylhexane
SMILESCCOCCC(C)CC(C)(C)C
InChIInChI=1S/C11H24O/c1-6-12-8-7-10(2)9-11(3,4)5/h10H,6-9H2,1-5H3
InChIKeyPIFBSQYLRWRPGG-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.49
Rot. Bonds5

About 1-ethoxy-3,5,5-trimethylhexane

1-ethoxy-3,5,5-trimethylhexane (PubChem CID 22002848) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 1-ethoxy-3,5,5-trimethylhexane.

Molecular Properties

Compound Name1-ethoxy-3,5,5-trimethylhexane
PubChem CID22002848
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name1-ethoxy-3,5,5-trimethylhexane
SMILESCCOCCC(C)CC(C)(C)C
InChIInChI=1S/C11H24O/c1-6-12-8-7-10(2)9-11(3,4)5/h10H,6-9H2,1-5H3
InChIKeyPIFBSQYLRWRPGG-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.49
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

3,5,5-trimethyl-1-[3-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]propoxy]hexane
CID 58682902
3,5,5-trimethyl-1-[2-(3,5,5-trimethylhexoxy)propan-2-yloxy]hexane
CID 141134456
3,5,5-trimethyl-1-(2-propan-2-yloxyethoxy)hexane
CID 138626060
2-(3,5,5-trimethylhexoxy)ethanol
CID 54373855
2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol
CID 545734
1-(3,5,5-trimethylhexoxy)undecane
CID 86724837
1,4-diethoxy-2-methylbutane
CID 59899860
4-(3,5,5-trimethylhexoxy)-N-[4-(3,5,5-trimethylhexoxy)butyl]butan-1-amine
CID 87914119
4-ethoxy-1-methoxy-2-methylbutane
CID 102175642
5-ethoxy-3-methylpentan-1-amine
CID 87063287
3,5,5-trimethyl-1-phosphorosooxyhexane
CID 18724905
2,2,4,8,10,10-hexamethylundecane
CID 54023173

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3,5,5-trimethylhexane?
The IUPAC name of 1-ethoxy-3,5,5-trimethylhexane (CID 22002848) is 1-ethoxy-3,5,5-trimethylhexane.
What is the SMILES notation for 1-ethoxy-3,5,5-trimethylhexane?
The canonical SMILES for 1-ethoxy-3,5,5-trimethylhexane is CCOCCC(C)CC(C)(C)C.
What is the InChIKey of 1-ethoxy-3,5,5-trimethylhexane?
The InChIKey is PIFBSQYLRWRPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-6-12-8-7-10(2)9-11(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of 1-ethoxy-3,5,5-trimethylhexane?
1-ethoxy-3,5,5-trimethylhexane has a molecular weight of 172.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3,5,5-trimethylhexane is sourced from PubChem (CID 22002848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).