3-ethoxy-2,3,4-trimethylpentane

C10H22O — CID 54126037

IUPAC3-ethoxy-2,3,4-trimethylpentane
SMILESCCOC(C)(C(C)C)C(C)C
InChIInChI=1S/C10H22O/c1-7-11-10(6,8(2)3)9(4)5/h8-9H,7H2,1-6H3
InChIKeyNRAKEWPRMKSYFP-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.09
Rot. Bonds4

About 3-ethoxy-2,3,4-trimethylpentane

3-ethoxy-2,3,4-trimethylpentane (PubChem CID 54126037) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3-ethoxy-2,3,4-trimethylpentane.

Molecular Properties

Compound Name3-ethoxy-2,3,4-trimethylpentane
PubChem CID54126037
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3-ethoxy-2,3,4-trimethylpentane
SMILESCCOC(C)(C(C)C)C(C)C
InChIInChI=1S/C10H22O/c1-7-11-10(6,8(2)3)9(4)5/h8-9H,7H2,1-6H3
InChIKeyNRAKEWPRMKSYFP-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,3,4-trimethylpentane?
The IUPAC name of 3-ethoxy-2,3,4-trimethylpentane (CID 54126037) is 3-ethoxy-2,3,4-trimethylpentane.
What is the SMILES notation for 3-ethoxy-2,3,4-trimethylpentane?
The canonical SMILES for 3-ethoxy-2,3,4-trimethylpentane is CCOC(C)(C(C)C)C(C)C.
What is the InChIKey of 3-ethoxy-2,3,4-trimethylpentane?
The InChIKey is NRAKEWPRMKSYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-7-11-10(6,8(2)3)9(4)5/h8-9H,7H2,1-6H3.
What are the key properties of 3-ethoxy-2,3,4-trimethylpentane?
3-ethoxy-2,3,4-trimethylpentane has a molecular weight of 158.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,3,4-trimethylpentane is sourced from PubChem (CID 54126037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).