spiro[adamantane-2,1'-cyclobutane]

C13H20 — CID 14469940

IUPACspiro[adamantane-2,1'-cyclobutane]
SMILESC1CC2(C1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C13H20/c1-2-13(3-1)11-5-9-4-10(7-11)8-12(13)6-9/h9-12H,1-8H2
InChIKeyAQXKHAYFBDMRAF-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.61
Rot. Bonds

About spiro[adamantane-2,1'-cyclobutane]

spiro[adamantane-2,1'-cyclobutane] (PubChem CID 14469940) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is spiro[adamantane-2,1'-cyclobutane].

Molecular Properties

Compound Namespiro[adamantane-2,1'-cyclobutane]
PubChem CID14469940
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Namespiro[adamantane-2,1'-cyclobutane]
SMILESC1CC2(C1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C13H20/c1-2-13(3-1)11-5-9-4-10(7-11)8-12(13)6-9/h9-12H,1-8H2
InChIKeyAQXKHAYFBDMRAF-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze spiro[adamantane-2,1'-cyclobutane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of spiro[adamantane-2,1'-cyclobutane]?
The IUPAC name of spiro[adamantane-2,1'-cyclobutane] (CID 14469940) is spiro[adamantane-2,1'-cyclobutane].
What is the SMILES notation for spiro[adamantane-2,1'-cyclobutane]?
The canonical SMILES for spiro[adamantane-2,1'-cyclobutane] is C1CC2(C1)C1CC3CC(C1)CC2C3.
What is the InChIKey of spiro[adamantane-2,1'-cyclobutane]?
The InChIKey is AQXKHAYFBDMRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-2-13(3-1)11-5-9-4-10(7-11)8-12(13)6-9/h9-12H,1-8H2.
What are the key properties of spiro[adamantane-2,1'-cyclobutane]?
spiro[adamantane-2,1'-cyclobutane] has a molecular weight of 176.30 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[adamantane-2,1'-cyclobutane] is sourced from PubChem (CID 14469940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).