spiro[adamantane-2,3'-oxetane]

C12H18O — CID 22677097

IUPACspiro[adamantane-2,3'-oxetane]
SMILESC1C2CC3CC1CC(C2)C31COC1
InChIInChI=1S/C12H18O/c1-8-2-10-4-9(1)5-11(3-8)12(10)6-13-7-12/h8-11H,1-7H2
InChIKeyXJPCUZKIVUNKBP-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.46
Rot. Bonds

About spiro[adamantane-2,3'-oxetane]

spiro[adamantane-2,3'-oxetane] (PubChem CID 22677097) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is spiro[adamantane-2,3'-oxetane].

Molecular Properties

Compound Namespiro[adamantane-2,3'-oxetane]
PubChem CID22677097
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Namespiro[adamantane-2,3'-oxetane]
SMILESC1C2CC3CC1CC(C2)C31COC1
InChIInChI=1S/C12H18O/c1-8-2-10-4-9(1)5-11(3-8)12(10)6-13-7-12/h8-11H,1-7H2
InChIKeyXJPCUZKIVUNKBP-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[adamantane-2,3'-oxetane]?
The IUPAC name of spiro[adamantane-2,3'-oxetane] (CID 22677097) is spiro[adamantane-2,3'-oxetane].
What is the SMILES notation for spiro[adamantane-2,3'-oxetane]?
The canonical SMILES for spiro[adamantane-2,3'-oxetane] is C1C2CC3CC1CC(C2)C31COC1.
What is the InChIKey of spiro[adamantane-2,3'-oxetane]?
The InChIKey is XJPCUZKIVUNKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-8-2-10-4-9(1)5-11(3-8)12(10)6-13-7-12/h8-11H,1-7H2.
What are the key properties of spiro[adamantane-2,3'-oxetane]?
spiro[adamantane-2,3'-oxetane] has a molecular weight of 178.27 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[adamantane-2,3'-oxetane] is sourced from PubChem (CID 22677097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).