10'-hydroxyspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one

C15H20O3 — CID 90266543

IUPAC10'-hydroxyspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one
SMILESO=C1OCCC12CC1CC2C2C3CC(CC3O)C12
InChIInChI=1S/C15H20O3/c16-11-5-7-3-9(11)13-10-4-8(12(7)13)6-15(10)1-2-18-14(15)17/h7-13,16H,1-6H2
InChIKeyBUYVWQKIMBFLLJ-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.59
Rot. Bonds

About 10'-hydroxyspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one

10'-hydroxyspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one (PubChem CID 90266543) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 10'-hydroxyspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one.

Molecular Properties

Compound Name10'-hydroxyspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one
PubChem CID90266543
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name10'-hydroxyspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one
SMILESO=C1OCCC12CC1CC2C2C3CC(CC3O)C12
InChIInChI=1S/C15H20O3/c16-11-5-7-3-9(11)13-10-4-8(12(7)13)6-15(10)1-2-18-14(15)17/h7-13,16H,1-6H2
InChIKeyBUYVWQKIMBFLLJ-UHFFFAOYSA-N
XLogP1.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze 10'-hydroxyspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one 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 10'-hydroxyspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one?
The IUPAC name of 10'-hydroxyspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one (CID 90266543) is 10'-hydroxyspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one.
What is the SMILES notation for 10'-hydroxyspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one?
The canonical SMILES for 10'-hydroxyspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one is O=C1OCCC12CC1CC2C2C3CC(CC3O)C12.
What is the InChIKey of 10'-hydroxyspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one?
The InChIKey is BUYVWQKIMBFLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-11-5-7-3-9(11)13-10-4-8(12(7)13)6-15(10)1-2-18-14(15)17/h7-13,16H,1-6H2.
What are the key properties of 10'-hydroxyspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one?
10'-hydroxyspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one has a molecular weight of 248.32 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-hydroxyspiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one is sourced from PubChem (CID 90266543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).