3-(ethoxymethyl)-2,4-dimethylpentane

C10H22O — CID 19768894

IUPAC3-(ethoxymethyl)-2,4-dimethylpentane
SMILESCCOCC(C(C)C)C(C)C
InChIInChI=1S/C10H22O/c1-6-11-7-10(8(2)3)9(4)5/h8-10H,6-7H2,1-5H3
InChIKeyTVMRLEQZPUJEIJ-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.95
Rot. Bonds5

About 3-(ethoxymethyl)-2,4-dimethylpentane

3-(ethoxymethyl)-2,4-dimethylpentane (PubChem CID 19768894) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3-(ethoxymethyl)-2,4-dimethylpentane.

Molecular Properties

Compound Name3-(ethoxymethyl)-2,4-dimethylpentane
PubChem CID19768894
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3-(ethoxymethyl)-2,4-dimethylpentane
SMILESCCOCC(C(C)C)C(C)C
InChIInChI=1S/C10H22O/c1-6-11-7-10(8(2)3)9(4)5/h8-10H,6-7H2,1-5H3
InChIKeyTVMRLEQZPUJEIJ-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-2,4-dimethylpentane?
The IUPAC name of 3-(ethoxymethyl)-2,4-dimethylpentane (CID 19768894) is 3-(ethoxymethyl)-2,4-dimethylpentane.
What is the SMILES notation for 3-(ethoxymethyl)-2,4-dimethylpentane?
The canonical SMILES for 3-(ethoxymethyl)-2,4-dimethylpentane is CCOCC(C(C)C)C(C)C.
What is the InChIKey of 3-(ethoxymethyl)-2,4-dimethylpentane?
The InChIKey is TVMRLEQZPUJEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-6-11-7-10(8(2)3)9(4)5/h8-10H,6-7H2,1-5H3.
What are the key properties of 3-(ethoxymethyl)-2,4-dimethylpentane?
3-(ethoxymethyl)-2,4-dimethylpentane has a molecular weight of 158.28 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-2,4-dimethylpentane is sourced from PubChem (CID 19768894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).