spiro[1,3-dioxolane-2,2'-adamantane]

C12H18O2 — CID 825752

IUPACspiro[1,3-dioxolane-2,2'-adamantane]
SMILESC1COC2(O1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C12H18O2/c1-2-14-12(13-1)10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,1-7H2
InChIKeyKOVQYEBSQJTZKF-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.19
Rot. Bonds

About spiro[1,3-dioxolane-2,2'-adamantane]

spiro[1,3-dioxolane-2,2'-adamantane] (PubChem CID 825752) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,2'-adamantane].

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,2'-adamantane]
PubChem CID825752
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namespiro[1,3-dioxolane-2,2'-adamantane]
SMILESC1COC2(O1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C12H18O2/c1-2-14-12(13-1)10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,1-7H2
InChIKeyKOVQYEBSQJTZKF-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze spiro[1,3-dioxolane-2,2'-adamantane] 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[1,3-dioxolane-2,2'-adamantane]?
The IUPAC name of spiro[1,3-dioxolane-2,2'-adamantane] (CID 825752) is spiro[1,3-dioxolane-2,2'-adamantane].
What is the SMILES notation for spiro[1,3-dioxolane-2,2'-adamantane]?
The canonical SMILES for spiro[1,3-dioxolane-2,2'-adamantane] is C1COC2(O1)C1CC3CC(C1)CC2C3.
What is the InChIKey of spiro[1,3-dioxolane-2,2'-adamantane]?
The InChIKey is KOVQYEBSQJTZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-14-12(13-1)10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,1-7H2.
What are the key properties of spiro[1,3-dioxolane-2,2'-adamantane]?
spiro[1,3-dioxolane-2,2'-adamantane] has a molecular weight of 194.27 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,2'-adamantane] is sourced from PubChem (CID 825752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).