2-ethyl-3,3-dimethyl-4-propan-2-yloxetane

C10H20O — CID 58640656

IUPAC2-ethyl-3,3-dimethyl-4-propan-2-yloxetane
SMILESCCC1OC(C(C)C)C1(C)C
InChIInChI=1S/C10H20O/c1-6-8-10(4,5)9(11-8)7(2)3/h7-9H,6H2,1-5H3
InChIKeyPATKJYTWZHYBCN-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.85
Rot. Bonds2

About 2-ethyl-3,3-dimethyl-4-propan-2-yloxetane

2-ethyl-3,3-dimethyl-4-propan-2-yloxetane (PubChem CID 58640656) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-ethyl-3,3-dimethyl-4-propan-2-yloxetane.

Molecular Properties

Compound Name2-ethyl-3,3-dimethyl-4-propan-2-yloxetane
PubChem CID58640656
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-ethyl-3,3-dimethyl-4-propan-2-yloxetane
SMILESCCC1OC(C(C)C)C1(C)C
InChIInChI=1S/C10H20O/c1-6-8-10(4,5)9(11-8)7(2)3/h7-9H,6H2,1-5H3
InChIKeyPATKJYTWZHYBCN-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,3-dimethyl-4-propan-2-yloxetane?
The IUPAC name of 2-ethyl-3,3-dimethyl-4-propan-2-yloxetane (CID 58640656) is 2-ethyl-3,3-dimethyl-4-propan-2-yloxetane.
What is the SMILES notation for 2-ethyl-3,3-dimethyl-4-propan-2-yloxetane?
The canonical SMILES for 2-ethyl-3,3-dimethyl-4-propan-2-yloxetane is CCC1OC(C(C)C)C1(C)C.
What is the InChIKey of 2-ethyl-3,3-dimethyl-4-propan-2-yloxetane?
The InChIKey is PATKJYTWZHYBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-6-8-10(4,5)9(11-8)7(2)3/h7-9H,6H2,1-5H3.
What are the key properties of 2-ethyl-3,3-dimethyl-4-propan-2-yloxetane?
2-ethyl-3,3-dimethyl-4-propan-2-yloxetane has a molecular weight of 156.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,3-dimethyl-4-propan-2-yloxetane is sourced from PubChem (CID 58640656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).