6-[(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)methoxy]oxan-2-ol

C21H36O3 — CID 123984001

IUPAC6-[(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)methoxy]oxan-2-ol
SMILESCC1C2CCCCC2C(COC2CCCC(O)O2)C2CCCCC12
InChIInChI=1S/C21H36O3/c1-14-15-7-2-4-9-17(15)19(18-10-5-3-8-16(14)18)13-23-21-12-6-11-20(22)24-21/h14-22H,2-13H2,1H3
InChIKeyZECFLDZVWPEEFN-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.73
Rot. Bonds3

About 6-[(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)methoxy]oxan-2-ol

6-[(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)methoxy]oxan-2-ol (PubChem CID 123984001) has the molecular formula C21H36O3 and a molecular weight of 336.52 g/mol. Its IUPAC name is 6-[(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)methoxy]oxan-2-ol.

Molecular Properties

Compound Name6-[(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)methoxy]oxan-2-ol
PubChem CID123984001
Molecular FormulaC21H36O3
Molecular Weight336.52 g/mol
Exact Mass336.27
IUPAC Name6-[(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)methoxy]oxan-2-ol
SMILESCC1C2CCCCC2C(COC2CCCC(O)O2)C2CCCCC12
InChIInChI=1S/C21H36O3/c1-14-15-7-2-4-9-17(15)19(18-10-5-3-8-16(14)18)13-23-21-12-6-11-20(22)24-21/h14-22H,2-13H2,1H3
InChIKeyZECFLDZVWPEEFN-UHFFFAOYSA-N
XLogP4.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)methoxy]oxan-2-ol with MolForge

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Related Compounds

7-methylbicyclo[4.1.0]heptane;propane
CID 143683188
7,8-dimethylbicyclo[4.2.0]octane;ethane
CID 158084419
(1R,8R)-9-methylbicyclo[6.1.0]nonane
CID 12870202
6-[1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl(hydroxy)methoxy]oxan-2-ol
CID 123363141
6-(methoxymethyl)bicyclo[3.1.0]hexane
CID 147202482
6-(cycloundecyloxymethyl)oxan-2-ol
CID 135181665
9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene
CID 71338835
6-[1,2,3,4,4a,5,6,7,8,9,10,11,12,12a-tetradecahydrobenzo[10]annulen-7-yl(hydroxy)methoxy]oxan-2-ol
CID 123576513
6-(dimethoxymethyl)oxan-2-ol
CID 129130756
10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane
CID 162269085
2,6-dipropoxyoxane
CID 524398
methanol;2-methoxy-6-methyloxane
CID 143625427

Frequently Asked Questions

What is the IUPAC name of 6-[(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)methoxy]oxan-2-ol?
The IUPAC name of 6-[(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)methoxy]oxan-2-ol (CID 123984001) is 6-[(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)methoxy]oxan-2-ol.
What is the SMILES notation for 6-[(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)methoxy]oxan-2-ol?
The canonical SMILES for 6-[(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)methoxy]oxan-2-ol is CC1C2CCCCC2C(COC2CCCC(O)O2)C2CCCCC12.
What is the InChIKey of 6-[(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)methoxy]oxan-2-ol?
The InChIKey is ZECFLDZVWPEEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O3/c1-14-15-7-2-4-9-17(15)19(18-10-5-3-8-16(14)18)13-23-21-12-6-11-20(22)24-21/h14-22H,2-13H2,1H3.
What are the key properties of 6-[(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)methoxy]oxan-2-ol?
6-[(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)methoxy]oxan-2-ol has a molecular weight of 336.52 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)methoxy]oxan-2-ol is sourced from PubChem (CID 123984001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).