Dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexane]-3''-ol

C16H24O4 — CID 119093794

IUPAC—
SMILESOC1CCCC2(C1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24O4/c17-14-2-1-3-15(9-14)18-16(20-19-15)12-5-10-4-11(7-12)8-13(16)6-10/h10-14,17H,1-9H2
InChIKeyHWCZJJWHPDTSEL-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.75
Rot. Bonds

About Dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexane]-3''-ol

Dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexane]-3''-ol (PubChem CID 119093794) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol.

Molecular Properties

Compound NameDispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexane]-3''-ol
PubChem CID119093794
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name—
SMILESOC1CCCC2(C1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24O4/c17-14-2-1-3-15(9-14)18-16(20-19-15)12-5-10-4-11(7-12)8-13(16)6-10/h10-14,17H,1-9H2
InChIKeyHWCZJJWHPDTSEL-UHFFFAOYSA-N
XLogP2.75
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexane]-3''-ol?
The IUPAC name of Dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexane]-3''-ol (CID 119093794) is not available.
What is the SMILES notation for Dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexane]-3''-ol?
The canonical SMILES for Dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexane]-3''-ol is OC1CCCC2(C1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of Dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexane]-3''-ol?
The InChIKey is HWCZJJWHPDTSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c17-14-2-1-3-15(9-14)18-16(20-19-15)12-5-10-4-11(7-12)8-13(16)6-10/h10-14,17H,1-9H2.
What are the key properties of Dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexane]-3''-ol?
Dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexane]-3''-ol has a molecular weight of 280.36 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexane]-3''-ol is sourced from PubChem (CID 119093794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).