(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole

C15H20O2 — CID 102238187

IUPAC(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
SMILESc1ccc(C2O[C@@H]3CCCCCC[C@H]3O2)cc1
InChIInChI=1S/C15H20O2/c1-2-7-11-14-13(10-6-1)16-15(17-14)12-8-4-3-5-9-12/h3-5,8-9,13-15H,1-2,6-7,10-11H2/t13-,14-/m1/s1
InChIKeyRLPCXHZPLQXGDE-ZIAGYGMSSA-N
MW232.32 g/mol
LogP3.82
Rot. Bonds1

About (3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole

(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole (PubChem CID 102238187) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
PubChem CID102238187
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
SMILESc1ccc(C2O[C@@H]3CCCCCC[C@H]3O2)cc1
InChIInChI=1S/C15H20O2/c1-2-7-11-14-13(10-6-1)16-15(17-14)12-8-4-3-5-9-12/h3-5,8-9,13-15H,1-2,6-7,10-11H2/t13-,14-/m1/s1
InChIKeyRLPCXHZPLQXGDE-ZIAGYGMSSA-N
XLogP3.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole 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

(2S,4aR,8aR)-2-phenyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 23248380
(3aR)-5,5-difluoro-2-phenyl-3a,4,6,6a-tetrahydrocyclopenta[d][1,3]dioxole
CID 146554518
2-phenyl-1,3-dioxonane
CID 70602118
(2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl)oxysilane
CID 175479271
(2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 134961607
(2S)-2-[(2R,4R)-2-phenyl-1,3-dioxolan-4-yl]piperidine
CID 129359856
(2R)-2-[(2S,4R)-2-phenyl-1,3-dioxolan-4-yl]piperidine
CID 98104651
(3aS,6aR)-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde
CID 146554515
4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 630953
(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
CID 159076923
CID 159076923
3-hydroxy-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one
CID 134693339

Frequently Asked Questions

What is the IUPAC name of (3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole?
The IUPAC name of (3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole (CID 102238187) is (3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole.
What is the SMILES notation for (3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole?
The canonical SMILES for (3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole is c1ccc(C2O[C@@H]3CCCCCC[C@H]3O2)cc1.
What is the InChIKey of (3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole?
The InChIKey is RLPCXHZPLQXGDE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-7-11-14-13(10-6-1)16-15(17-14)12-8-4-3-5-9-12/h3-5,8-9,13-15H,1-2,6-7,10-11H2/t13-,14-/m1/s1.
What are the key properties of (3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole?
(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole has a molecular weight of 232.32 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole is sourced from PubChem (CID 102238187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).