spiro[1,3-dioxolane-2,4'-adamantane]-1'-ylmethanol

C13H20O3 — CID 14004649

IUPACspiro[1,3-dioxolane-2,4'-adamantane]-1'-ylmethanol
SMILESOCC12CC3CC(C1)C1(OCCO1)C(C3)C2
InChIInChI=1S/C13H20O3/c14-8-12-5-9-3-10(6-12)13(11(4-9)7-12)15-1-2-16-13/h9-11,14H,1-8H2
InChIKeyFPNISAZZENBHIV-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.55
Rot. Bonds1

About spiro[1,3-dioxolane-2,4'-adamantane]-1'-ylmethanol

spiro[1,3-dioxolane-2,4'-adamantane]-1'-ylmethanol (PubChem CID 14004649) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,4'-adamantane]-1'-ylmethanol.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,4'-adamantane]-1'-ylmethanol
PubChem CID14004649
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Namespiro[1,3-dioxolane-2,4'-adamantane]-1'-ylmethanol
SMILESOCC12CC3CC(C1)C1(OCCO1)C(C3)C2
InChIInChI=1S/C13H20O3/c14-8-12-5-9-3-10(6-12)13(11(4-9)7-12)15-1-2-16-13/h9-11,14H,1-8H2
InChIKeyFPNISAZZENBHIV-UHFFFAOYSA-N
XLogP1.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze spiro[1,3-dioxolane-2,4'-adamantane]-1'-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 46890896
CID 46890896
Adamantane-2-spiro-2'-[1,3]-dioxolane
CID 825752
CID 134859791
CID 134859791
1'-(2,2-Difluoropropoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]
CID 58108119
Adamantane-2,6-dione, bis(ethylene ketal)-
CID 619814
2-Adamantanol, 4,4-ethylenedioxy-
CID 590588
2-Adamantanol, 6,6-ethylenedioxy-
CID 610923
4,4-Bis(2-hydroxyethoxy)adamantan-2-ol
CID 57908990
1'-Ethylspiro[1,3-dioxolane-2,4'-adamantane]
CID 58192803
[2-(1-Adamantyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 59641529
2-Spiro[1,3-dioxolane-2,4'-adamantane]-1'-ylethynol
CID 70935492
1'-(Methoxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]
CID 70935496

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,4'-adamantane]-1'-ylmethanol?
The IUPAC name of spiro[1,3-dioxolane-2,4'-adamantane]-1'-ylmethanol (CID 14004649) is spiro[1,3-dioxolane-2,4'-adamantane]-1'-ylmethanol.
What is the SMILES notation for spiro[1,3-dioxolane-2,4'-adamantane]-1'-ylmethanol?
The canonical SMILES for spiro[1,3-dioxolane-2,4'-adamantane]-1'-ylmethanol is OCC12CC3CC(C1)C1(OCCO1)C(C3)C2.
What is the InChIKey of spiro[1,3-dioxolane-2,4'-adamantane]-1'-ylmethanol?
The InChIKey is FPNISAZZENBHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c14-8-12-5-9-3-10(6-12)13(11(4-9)7-12)15-1-2-16-13/h9-11,14H,1-8H2.
What are the key properties of spiro[1,3-dioxolane-2,4'-adamantane]-1'-ylmethanol?
spiro[1,3-dioxolane-2,4'-adamantane]-1'-ylmethanol has a molecular weight of 224.30 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,4'-adamantane]-1'-ylmethanol is sourced from PubChem (CID 14004649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).