2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane

C15H32O — CID 123832462

IUPAC2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane
SMILESCCOC(C)(C)CC(CC(C)C)CC(C)C
InChIInChI=1S/C15H32O/c1-8-16-15(6,7)11-14(9-12(2)3)10-13(4)5/h12-14H,8-11H2,1-7H3
InChIKeyQXBPEKSNGXUZAH-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.90
Rot. Bonds8

About 2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane

2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane (PubChem CID 123832462) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane.

Molecular Properties

Compound Name2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane
PubChem CID123832462
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane
SMILESCCOC(C)(C)CC(CC(C)C)CC(C)C
InChIInChI=1S/C15H32O/c1-8-16-15(6,7)11-14(9-12(2)3)10-13(4)5/h12-14H,8-11H2,1-7H3
InChIKeyQXBPEKSNGXUZAH-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethoxy-1-methoxy-4-methylpentan-2-ol
CID 123443341
4-ethyl-2,6,6-trimethyloctane
CID 57491162
4-(ethoxymethyl)-2-methylhexane
CID 157265485
4-(bromomethyl)-2,2,6-trimethylheptane
CID 165446166
bis(4-ethyl-2-methylhexane);2-methylbutane
CID 161441490
ethane;2-ethoxy-2,3-dimethylbutane
CID 169190788
1-(2,4-dimethylpentan-2-yloxy)-2-methylpropane-2-thiol
CID 170705015
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
2-(2-ethoxy-2-methylpropoxy)-2-methylbutane
CID 91499831
3,3-diethoxy-2,4-dimethylpentane
CID 11788732

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane?
The IUPAC name of 2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane (CID 123832462) is 2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane.
What is the SMILES notation for 2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane?
The canonical SMILES for 2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane is CCOC(C)(C)CC(CC(C)C)CC(C)C.
What is the InChIKey of 2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane?
The InChIKey is QXBPEKSNGXUZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-8-16-15(6,7)11-14(9-12(2)3)10-13(4)5/h12-14H,8-11H2,1-7H3.
What are the key properties of 2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane?
2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane has a molecular weight of 228.42 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2,6-dimethyl-4-(2-methylpropyl)heptane is sourced from PubChem (CID 123832462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).