3-ethyl-3-methoxy-2,2,4-trimethylpentane

C11H24O — CID 23384909

IUPAC3-ethyl-3-methoxy-2,2,4-trimethylpentane
SMILESCCC(OC)(C(C)C)C(C)(C)C
InChIInChI=1S/C11H24O/c1-8-11(12-7,9(2)3)10(4,5)6/h9H,8H2,1-7H3
InChIKeyTXGGSAKHGBTBJN-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.48
Rot. Bonds3

About 3-ethyl-3-methoxy-2,2,4-trimethylpentane

3-ethyl-3-methoxy-2,2,4-trimethylpentane (PubChem CID 23384909) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 3-ethyl-3-methoxy-2,2,4-trimethylpentane.

Molecular Properties

Compound Name3-ethyl-3-methoxy-2,2,4-trimethylpentane
PubChem CID23384909
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name3-ethyl-3-methoxy-2,2,4-trimethylpentane
SMILESCCC(OC)(C(C)C)C(C)(C)C
InChIInChI=1S/C11H24O/c1-8-11(12-7,9(2)3)10(4,5)6/h9H,8H2,1-7H3
InChIKeyTXGGSAKHGBTBJN-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-3-methoxy-2,2,4-trimethylpentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxy-2,2,4-trimethylpentane?
The IUPAC name of 3-ethyl-3-methoxy-2,2,4-trimethylpentane (CID 23384909) is 3-ethyl-3-methoxy-2,2,4-trimethylpentane.
What is the SMILES notation for 3-ethyl-3-methoxy-2,2,4-trimethylpentane?
The canonical SMILES for 3-ethyl-3-methoxy-2,2,4-trimethylpentane is CCC(OC)(C(C)C)C(C)(C)C.
What is the InChIKey of 3-ethyl-3-methoxy-2,2,4-trimethylpentane?
The InChIKey is TXGGSAKHGBTBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-8-11(12-7,9(2)3)10(4,5)6/h9H,8H2,1-7H3.
What are the key properties of 3-ethyl-3-methoxy-2,2,4-trimethylpentane?
3-ethyl-3-methoxy-2,2,4-trimethylpentane has a molecular weight of 172.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxy-2,2,4-trimethylpentane is sourced from PubChem (CID 23384909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).