2-(1-adamantyl)oxetane

C13H20O — CID 54296505

IUPAC2-(1-adamantyl)oxetane
SMILESC1CC(C23CC4CC(CC(C4)C2)C3)O1
InChIInChI=1S/C13H20O/c1-2-14-12(1)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-12H,1-8H2
InChIKeySBDOFSOEOSEZFA-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.99
Rot. Bonds1

About 2-(1-adamantyl)oxetane

2-(1-adamantyl)oxetane (PubChem CID 54296505) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-(1-adamantyl)oxetane.

Molecular Properties

Compound Name2-(1-adamantyl)oxetane
PubChem CID54296505
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-(1-adamantyl)oxetane
SMILESC1CC(C23CC4CC(CC(C4)C2)C3)O1
InChIInChI=1S/C13H20O/c1-2-14-12(1)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-12H,1-8H2
InChIKeySBDOFSOEOSEZFA-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)oxetane?
The IUPAC name of 2-(1-adamantyl)oxetane (CID 54296505) is 2-(1-adamantyl)oxetane.
What is the SMILES notation for 2-(1-adamantyl)oxetane?
The canonical SMILES for 2-(1-adamantyl)oxetane is C1CC(C23CC4CC(CC(C4)C2)C3)O1.
What is the InChIKey of 2-(1-adamantyl)oxetane?
The InChIKey is SBDOFSOEOSEZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-2-14-12(1)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-12H,1-8H2.
What are the key properties of 2-(1-adamantyl)oxetane?
2-(1-adamantyl)oxetane has a molecular weight of 192.30 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)oxetane is sourced from PubChem (CID 54296505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).