[(1S,3R,4R,8S,11S,12R)-12-(hydroxymethyl)-8,15,15-trimethyl-4-tricyclo[9.3.1.03,8]pentadecanyl]methanol

C20H36O2 — CID 66876307

IUPAC[(1S,3R,4R,8S,11S,12R)-12-(hydroxymethyl)-8,15,15-trimethyl-4-tricyclo[9.3.1.03,8]pentadecanyl]methanol
SMILESCC1(C)[C@H]2CC[C@@H](CO)[C@@H]1CC[C@]1(C)CCC[C@@H](CO)[C@H]1C2
InChIInChI=1S/C20H36O2/c1-19(2)16-7-6-15(13-22)17(19)8-10-20(3)9-4-5-14(12-21)18(20)11-16/h14-18,21-22H,4-13H2,1-3H3/t14-,15-,16-,17-,18+,20-/m0/s1
InChIKeyZXROWHKYYNYHBO-IHEFFSNCSA-N
MW308.51 g/mol
LogP4.25
Rot. Bonds2

About [(1S,3R,4R,8S,11S,12R)-12-(hydroxymethyl)-8,15,15-trimethyl-4-tricyclo[9.3.1.03,8]pentadecanyl]methanol

[(1S,3R,4R,8S,11S,12R)-12-(hydroxymethyl)-8,15,15-trimethyl-4-tricyclo[9.3.1.03,8]pentadecanyl]methanol (PubChem CID 66876307) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is [(1S,3R,4R,8S,11S,12R)-12-(hydroxymethyl)-8,15,15-trimethyl-4-tricyclo[9.3.1.03,8]pentadecanyl]methanol.

Molecular Properties

Compound Name[(1S,3R,4R,8S,11S,12R)-12-(hydroxymethyl)-8,15,15-trimethyl-4-tricyclo[9.3.1.03,8]pentadecanyl]methanol
PubChem CID66876307
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name[(1S,3R,4R,8S,11S,12R)-12-(hydroxymethyl)-8,15,15-trimethyl-4-tricyclo[9.3.1.03,8]pentadecanyl]methanol
SMILESCC1(C)[C@H]2CC[C@@H](CO)[C@@H]1CC[C@]1(C)CCC[C@@H](CO)[C@H]1C2
InChIInChI=1S/C20H36O2/c1-19(2)16-7-6-15(13-22)17(19)8-10-20(3)9-4-5-14(12-21)18(20)11-16/h14-18,21-22H,4-13H2,1-3H3/t14-,15-,16-,17-,18+,20-/m0/s1
InChIKeyZXROWHKYYNYHBO-IHEFFSNCSA-N
XLogP4.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S,3R,4R,8S,11S,12R)-12-(hydroxymethyl)-8,15,15-trimethyl-4-tricyclo[9.3.1.03,8]pentadecanyl]methanol with MolForge

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Related Compounds

[(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 140535687
[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 59952674
(1S,3R,4R,8S,11S,12R)-12-(methoxymethyl)-4,8,15,15-tetramethyltricyclo[9.3.1.03,8]pentadecane
CID 174755013
(1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane;hydrate
CID 68845775
carbamic acid;(1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane
CID 66784085
2-[(2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethanol
CID 140535686
[(8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]methanol
CID 174877315
1,1-diethoxyethane;(1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane
CID 68925708
[(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol
CID 66964570
[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanamine
CID 12732836
[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol;[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl sulfamate;sulfamoyl chloride
CID 161255273
nitroso hydrogen sulfate;(1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane
CID 87857014

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R,8S,11S,12R)-12-(hydroxymethyl)-8,15,15-trimethyl-4-tricyclo[9.3.1.03,8]pentadecanyl]methanol?
The IUPAC name of [(1S,3R,4R,8S,11S,12R)-12-(hydroxymethyl)-8,15,15-trimethyl-4-tricyclo[9.3.1.03,8]pentadecanyl]methanol (CID 66876307) is [(1S,3R,4R,8S,11S,12R)-12-(hydroxymethyl)-8,15,15-trimethyl-4-tricyclo[9.3.1.03,8]pentadecanyl]methanol.
What is the SMILES notation for [(1S,3R,4R,8S,11S,12R)-12-(hydroxymethyl)-8,15,15-trimethyl-4-tricyclo[9.3.1.03,8]pentadecanyl]methanol?
The canonical SMILES for [(1S,3R,4R,8S,11S,12R)-12-(hydroxymethyl)-8,15,15-trimethyl-4-tricyclo[9.3.1.03,8]pentadecanyl]methanol is CC1(C)[C@H]2CC[C@@H](CO)[C@@H]1CC[C@]1(C)CCC[C@@H](CO)[C@H]1C2.
What is the InChIKey of [(1S,3R,4R,8S,11S,12R)-12-(hydroxymethyl)-8,15,15-trimethyl-4-tricyclo[9.3.1.03,8]pentadecanyl]methanol?
The InChIKey is ZXROWHKYYNYHBO-IHEFFSNCSA-N. The full InChI is InChI=1S/C20H36O2/c1-19(2)16-7-6-15(13-22)17(19)8-10-20(3)9-4-5-14(12-21)18(20)11-16/h14-18,21-22H,4-13H2,1-3H3/t14-,15-,16-,17-,18+,20-/m0/s1.
What are the key properties of [(1S,3R,4R,8S,11S,12R)-12-(hydroxymethyl)-8,15,15-trimethyl-4-tricyclo[9.3.1.03,8]pentadecanyl]methanol?
[(1S,3R,4R,8S,11S,12R)-12-(hydroxymethyl)-8,15,15-trimethyl-4-tricyclo[9.3.1.03,8]pentadecanyl]methanol has a molecular weight of 308.51 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4R,8S,11S,12R)-12-(hydroxymethyl)-8,15,15-trimethyl-4-tricyclo[9.3.1.03,8]pentadecanyl]methanol is sourced from PubChem (CID 66876307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).