spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-ol

C10H16O3 — CID 14429286

IUPACspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-ol
SMILESOC1CCC2CC3(CC12)OCCO3
InChIInChI=1S/C10H16O3/c11-9-2-1-7-5-10(6-8(7)9)12-3-4-13-10/h7-9,11H,1-6H2
InChIKeyGEFCAENEWYJNRM-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.91
Rot. Bonds

About spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-ol

spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-ol (PubChem CID 14429286) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-ol.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-ol
PubChem CID14429286
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namespiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-ol
SMILESOC1CCC2CC3(CC12)OCCO3
InChIInChI=1S/C10H16O3/c11-9-2-1-7-5-10(6-8(7)9)12-3-4-13-10/h7-9,11H,1-6H2
InChIKeyGEFCAENEWYJNRM-UHFFFAOYSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-ol?
The IUPAC name of spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-ol (CID 14429286) is spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-ol.
What is the SMILES notation for spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-ol?
The canonical SMILES for spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-ol is OC1CCC2CC3(CC12)OCCO3.
What is the InChIKey of spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-ol?
The InChIKey is GEFCAENEWYJNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-9-2-1-7-5-10(6-8(7)9)12-3-4-13-10/h7-9,11H,1-6H2.
What are the key properties of spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-ol?
spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-ol has a molecular weight of 184.23 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-ol is sourced from PubChem (CID 14429286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).