spiro[adamantane-2,4'-oxane]

C14H22O — CID 10512483

IUPACspiro[adamantane-2,4'-oxane]
SMILESC1CC2(CCO1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C14H22O/c1-3-15-4-2-14(1)12-6-10-5-11(8-12)9-13(14)7-10/h10-13H,1-9H2
InChIKeyXSCDYXHFXFQNGS-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.24
Rot. Bonds

About spiro[adamantane-2,4'-oxane]

spiro[adamantane-2,4'-oxane] (PubChem CID 10512483) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is spiro[adamantane-2,4'-oxane].

Molecular Properties

Compound Namespiro[adamantane-2,4'-oxane]
PubChem CID10512483
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Namespiro[adamantane-2,4'-oxane]
SMILESC1CC2(CCO1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C14H22O/c1-3-15-4-2-14(1)12-6-10-5-11(8-12)9-13(14)7-10/h10-13H,1-9H2
InChIKeyXSCDYXHFXFQNGS-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[adamantane-2,4'-oxane]?
The IUPAC name of spiro[adamantane-2,4'-oxane] (CID 10512483) is spiro[adamantane-2,4'-oxane].
What is the SMILES notation for spiro[adamantane-2,4'-oxane]?
The canonical SMILES for spiro[adamantane-2,4'-oxane] is C1CC2(CCO1)C1CC3CC(C1)CC2C3.
What is the InChIKey of spiro[adamantane-2,4'-oxane]?
The InChIKey is XSCDYXHFXFQNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-3-15-4-2-14(1)12-6-10-5-11(8-12)9-13(14)7-10/h10-13H,1-9H2.
What are the key properties of spiro[adamantane-2,4'-oxane]?
spiro[adamantane-2,4'-oxane] has a molecular weight of 206.33 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[adamantane-2,4'-oxane] is sourced from PubChem (CID 10512483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).