2-ethyl-4-(2-methylpropyl)-2-propan-2-yloxane

C14H28O — CID 91432784

IUPAC2-ethyl-4-(2-methylpropyl)-2-propan-2-yloxane
SMILESCCC1(C(C)C)CC(CC(C)C)CCO1
InChIInChI=1S/C14H28O/c1-6-14(12(4)5)10-13(7-8-15-14)9-11(2)3/h11-13H,6-10H2,1-5H3
InChIKeyQMAMYLAENVVBDM-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.26
Rot. Bonds4

About 2-ethyl-4-(2-methylpropyl)-2-propan-2-yloxane

2-ethyl-4-(2-methylpropyl)-2-propan-2-yloxane (PubChem CID 91432784) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-ethyl-4-(2-methylpropyl)-2-propan-2-yloxane.

Molecular Properties

Compound Name2-ethyl-4-(2-methylpropyl)-2-propan-2-yloxane
PubChem CID91432784
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name2-ethyl-4-(2-methylpropyl)-2-propan-2-yloxane
SMILESCCC1(C(C)C)CC(CC(C)C)CCO1
InChIInChI=1S/C14H28O/c1-6-14(12(4)5)10-13(7-8-15-14)9-11(2)3/h11-13H,6-10H2,1-5H3
InChIKeyQMAMYLAENVVBDM-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-methylpropyl)-2-propan-2-yloxane?
The IUPAC name of 2-ethyl-4-(2-methylpropyl)-2-propan-2-yloxane (CID 91432784) is 2-ethyl-4-(2-methylpropyl)-2-propan-2-yloxane.
What is the SMILES notation for 2-ethyl-4-(2-methylpropyl)-2-propan-2-yloxane?
The canonical SMILES for 2-ethyl-4-(2-methylpropyl)-2-propan-2-yloxane is CCC1(C(C)C)CC(CC(C)C)CCO1.
What is the InChIKey of 2-ethyl-4-(2-methylpropyl)-2-propan-2-yloxane?
The InChIKey is QMAMYLAENVVBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-6-14(12(4)5)10-13(7-8-15-14)9-11(2)3/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-ethyl-4-(2-methylpropyl)-2-propan-2-yloxane?
2-ethyl-4-(2-methylpropyl)-2-propan-2-yloxane has a molecular weight of 212.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-methylpropyl)-2-propan-2-yloxane is sourced from PubChem (CID 91432784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).