spiro[1,3-dioxolane-2,6'-adamantane]-2'-ol

C12H18O3 — CID 610923

IUPACspiro[1,3-dioxolane-2,6'-adamantane]-2'-ol
SMILESOC1C2CC3CC1CC(C2)C31OCCO1
InChIInChI=1S/C12H18O3/c13-11-7-3-9-5-8(11)6-10(4-7)12(9)14-1-2-15-12/h7-11,13H,1-6H2
InChIKeyHVDWXWDBKGDKDR-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.16
Rot. Bonds

About spiro[1,3-dioxolane-2,6'-adamantane]-2'-ol

spiro[1,3-dioxolane-2,6'-adamantane]-2'-ol (PubChem CID 610923) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,6'-adamantane]-2'-ol.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,6'-adamantane]-2'-ol
PubChem CID610923
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Namespiro[1,3-dioxolane-2,6'-adamantane]-2'-ol
SMILESOC1C2CC3CC1CC(C2)C31OCCO1
InChIInChI=1S/C12H18O3/c13-11-7-3-9-5-8(11)6-10(4-7)12(9)14-1-2-15-12/h7-11,13H,1-6H2
InChIKeyHVDWXWDBKGDKDR-UHFFFAOYSA-N
XLogP1.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.16
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-2,6'-adamantane]-2'-ol?
The IUPAC name of spiro[1,3-dioxolane-2,6'-adamantane]-2'-ol (CID 610923) is spiro[1,3-dioxolane-2,6'-adamantane]-2'-ol.
What is the SMILES notation for spiro[1,3-dioxolane-2,6'-adamantane]-2'-ol?
The canonical SMILES for spiro[1,3-dioxolane-2,6'-adamantane]-2'-ol is OC1C2CC3CC1CC(C2)C31OCCO1.
What is the InChIKey of spiro[1,3-dioxolane-2,6'-adamantane]-2'-ol?
The InChIKey is HVDWXWDBKGDKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c13-11-7-3-9-5-8(11)6-10(4-7)12(9)14-1-2-15-12/h7-11,13H,1-6H2.
What are the key properties of spiro[1,3-dioxolane-2,6'-adamantane]-2'-ol?
spiro[1,3-dioxolane-2,6'-adamantane]-2'-ol has a molecular weight of 210.27 g/mol, XLogP of 1.16, 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-2,6'-adamantane]-2'-ol is sourced from PubChem (CID 610923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).