5,5-dimethyl-11,12-dioxatricyclo[8.2.1.01,6]tridecan-10-ol

C13H22O3 — CID 606210

IUPAC5,5-dimethyl-11,12-dioxatricyclo[8.2.1.01,6]tridecan-10-ol
SMILESCC1(C)CCCC23CC(O)(CCCC12)OO3
InChIInChI=1S/C13H22O3/c1-11(2)6-4-7-12-9-13(14,16-15-12)8-3-5-10(11)12/h10,14H,3-9H2,1-2H3
InChIKeyRBFWHMUVCHUYON-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.78
Rot. Bonds

About 5,5-dimethyl-11,12-dioxatricyclo[8.2.1.01,6]tridecan-10-ol

5,5-dimethyl-11,12-dioxatricyclo[8.2.1.01,6]tridecan-10-ol (PubChem CID 606210) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5,5-dimethyl-11,12-dioxatricyclo[8.2.1.01,6]tridecan-10-ol.

Molecular Properties

Compound Name5,5-dimethyl-11,12-dioxatricyclo[8.2.1.01,6]tridecan-10-ol
PubChem CID606210
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name5,5-dimethyl-11,12-dioxatricyclo[8.2.1.01,6]tridecan-10-ol
SMILESCC1(C)CCCC23CC(O)(CCCC12)OO3
InChIInChI=1S/C13H22O3/c1-11(2)6-4-7-12-9-13(14,16-15-12)8-3-5-10(11)12/h10,14H,3-9H2,1-2H3
InChIKeyRBFWHMUVCHUYON-UHFFFAOYSA-N
XLogP2.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-11,12-dioxatricyclo[8.2.1.01,6]tridecan-10-ol with MolForge

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Related Compounds

(2R,4aR,4bS,8aS,10aR)-2,4b,8,8-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-2,10a-diol
CID 53236772
(1S,5R,9S)-13-oxatricyclo[7.3.1.01,5]tridecan-9-ol
CID 10559802
5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-chromene
CID 19873304
4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane]
CID 91196169
1-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propan-2-one
CID 11832362
(4aS,7S,8aR)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-ol
CID 91746481
(4aS,8aS,10R)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene-8a,10-diol
CID 144526385
(4aR,8aR)-1-ethynyl-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ol;carbon dioxide
CID 158777206
(1S,3aS,7aR)-1-methoxy-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-indene
CID 90388768
(7R)-2,2,6-trimethylbicyclo[4.2.0]octan-7-ol
CID 89331828
(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalene-1-carbaldehyde
CID 11390781
(1S,2R,4aS,8aR)-1-(hydroxymethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-ol
CID 101048550

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-11,12-dioxatricyclo[8.2.1.01,6]tridecan-10-ol?
The IUPAC name of 5,5-dimethyl-11,12-dioxatricyclo[8.2.1.01,6]tridecan-10-ol (CID 606210) is 5,5-dimethyl-11,12-dioxatricyclo[8.2.1.01,6]tridecan-10-ol.
What is the SMILES notation for 5,5-dimethyl-11,12-dioxatricyclo[8.2.1.01,6]tridecan-10-ol?
The canonical SMILES for 5,5-dimethyl-11,12-dioxatricyclo[8.2.1.01,6]tridecan-10-ol is CC1(C)CCCC23CC(O)(CCCC12)OO3.
What is the InChIKey of 5,5-dimethyl-11,12-dioxatricyclo[8.2.1.01,6]tridecan-10-ol?
The InChIKey is RBFWHMUVCHUYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-11(2)6-4-7-12-9-13(14,16-15-12)8-3-5-10(11)12/h10,14H,3-9H2,1-2H3.
What are the key properties of 5,5-dimethyl-11,12-dioxatricyclo[8.2.1.01,6]tridecan-10-ol?
5,5-dimethyl-11,12-dioxatricyclo[8.2.1.01,6]tridecan-10-ol has a molecular weight of 226.32 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-11,12-dioxatricyclo[8.2.1.01,6]tridecan-10-ol is sourced from PubChem (CID 606210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).