2-ethoxy-2,6-dimethylheptane

C11H24O — CID 19835725

IUPAC2-ethoxy-2,6-dimethylheptane
SMILESCCOC(C)(C)CCCC(C)C
InChIInChI=1S/C11H24O/c1-6-12-11(4,5)9-7-8-10(2)3/h10H,6-9H2,1-5H3
InChIKeyPPZTVOCMZRASAS-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.63
Rot. Bonds6

About 2-ethoxy-2,6-dimethylheptane

2-ethoxy-2,6-dimethylheptane (PubChem CID 19835725) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2-ethoxy-2,6-dimethylheptane.

Molecular Properties

Compound Name2-ethoxy-2,6-dimethylheptane
PubChem CID19835725
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2-ethoxy-2,6-dimethylheptane
SMILESCCOC(C)(C)CCCC(C)C
InChIInChI=1S/C11H24O/c1-6-12-11(4,5)9-7-8-10(2)3/h10H,6-9H2,1-5H3
InChIKeyPPZTVOCMZRASAS-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Octane, 2-(or 6)-ethoxy-2,6-dimethyl-
CID 86129
Tetrahydro-2,2,6-trimethyl-2H-pyran
CID 122554
2-Methoxy-2-methylheptane
CID 12663431
2-Methyl-2-(4-methylpentyl)oxirane
CID 19748541
5-Isopropyl-2,2-dimethyltetrahydrofuran
CID 557225
6-Methyl-2-heptanol, methyl ether
CID 22151529
3-((1,1-Dimethylethoxy)methyl)heptane
CID 545858
Oxirane, 3-butyl-2,2-dimethyl-
CID 10953528
2,2,6,6-Tetramethyloxane
CID 12593435
2-Methyl-5-propan-2-yloxolane
CID 13896549
2,2-Dimethyloxepane
CID 14783826
2-Methoxy-2,6-di-methyloctane
CID 20647243

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2,6-dimethylheptane?
The IUPAC name of 2-ethoxy-2,6-dimethylheptane (CID 19835725) is 2-ethoxy-2,6-dimethylheptane.
What is the SMILES notation for 2-ethoxy-2,6-dimethylheptane?
The canonical SMILES for 2-ethoxy-2,6-dimethylheptane is CCOC(C)(C)CCCC(C)C.
What is the InChIKey of 2-ethoxy-2,6-dimethylheptane?
The InChIKey is PPZTVOCMZRASAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-6-12-11(4,5)9-7-8-10(2)3/h10H,6-9H2,1-5H3.
What are the key properties of 2-ethoxy-2,6-dimethylheptane?
2-ethoxy-2,6-dimethylheptane has a molecular weight of 172.31 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2,6-dimethylheptane is sourced from PubChem (CID 19835725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).