[(2S,5R,8R,11S)-11-methoxy-6,6,8-trimethyl-2-tricyclo[6.3.0.01,5]undecanyl]methanol

C16H28O2 — CID 134732384

IUPAC[(2S,5R,8R,11S)-11-methoxy-6,6,8-trimethyl-2-tricyclo[6.3.0.01,5]undecanyl]methanol
SMILESCO[C@H]1CC[C@]2(C)CC(C)(C)[C@H]3CCC(CO)C132
InChIInChI=1S/C16H28O2/c1-14(2)10-15(3)8-7-13(18-4)16(15)11(9-17)5-6-12(14)16/h11-13,17H,5-10H2,1-4H3/t11?,12-,13+,15-,16?/m1/s1
InChIKeyGHENTVCCMFGXJL-CGYUPCHJSA-N
MW252.40 g/mol
LogP3.24
Rot. Bonds2

About [(2S,5R,8R,11S)-11-methoxy-6,6,8-trimethyl-2-tricyclo[6.3.0.01,5]undecanyl]methanol

[(2S,5R,8R,11S)-11-methoxy-6,6,8-trimethyl-2-tricyclo[6.3.0.01,5]undecanyl]methanol (PubChem CID 134732384) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is [(2S,5R,8R,11S)-11-methoxy-6,6,8-trimethyl-2-tricyclo[6.3.0.01,5]undecanyl]methanol.

Molecular Properties

Compound Name[(2S,5R,8R,11S)-11-methoxy-6,6,8-trimethyl-2-tricyclo[6.3.0.01,5]undecanyl]methanol
PubChem CID134732384
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name[(2S,5R,8R,11S)-11-methoxy-6,6,8-trimethyl-2-tricyclo[6.3.0.01,5]undecanyl]methanol
SMILESCO[C@H]1CC[C@]2(C)CC(C)(C)[C@H]3CCC(CO)C132
InChIInChI=1S/C16H28O2/c1-14(2)10-15(3)8-7-13(18-4)16(15)11(9-17)5-6-12(14)16/h11-13,17H,5-10H2,1-4H3/t11?,12-,13+,15-,16?/m1/s1
InChIKeyGHENTVCCMFGXJL-CGYUPCHJSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S,5R,8R,11S)-11-methoxy-6,6,8-trimethyl-2-tricyclo[6.3.0.01,5]undecanyl]methanol with MolForge

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Related Compounds

(2S,3R,3aS,3bS,6aS,7aS)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol
CID 14487977
(1R,2R,3S,5S,7R,8R,10S,12R,13R,16R)-2,6,6,12-tetramethyltetracyclo[8.5.1.03,7.013,16]hexadecane-2,5,7,8,10,12-hexol
CID 154496830
Ent-Gloeosteretriol
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Kalmanol
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Ceratopicanol
CID 11831043
(2S,3S,3aS,3bR,6aS,7S,7aR)-2,3,3a,5,5-pentamethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalen-7-ol
CID 139584314
Hirsutuminoid K
CID 170989686
Gloeosteretriol
CID 132365
(-)-Cameroonan-7alpha-ol
CID 91748571
(1S,2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol
CID 10846702
Npc164105
CID 189600
(1R,2R,3S,5S,7R,8R,12R,13R)-2,6,6,12-tetramethyltetracyclo[8.5.1.03,7.013,16]hexadecane-2,5,7,8,10,12-hexol
CID 54750298

Frequently Asked Questions

What is the IUPAC name of [(2S,5R,8R,11S)-11-methoxy-6,6,8-trimethyl-2-tricyclo[6.3.0.01,5]undecanyl]methanol?
The IUPAC name of [(2S,5R,8R,11S)-11-methoxy-6,6,8-trimethyl-2-tricyclo[6.3.0.01,5]undecanyl]methanol (CID 134732384) is [(2S,5R,8R,11S)-11-methoxy-6,6,8-trimethyl-2-tricyclo[6.3.0.01,5]undecanyl]methanol.
What is the SMILES notation for [(2S,5R,8R,11S)-11-methoxy-6,6,8-trimethyl-2-tricyclo[6.3.0.01,5]undecanyl]methanol?
The canonical SMILES for [(2S,5R,8R,11S)-11-methoxy-6,6,8-trimethyl-2-tricyclo[6.3.0.01,5]undecanyl]methanol is CO[C@H]1CC[C@]2(C)CC(C)(C)[C@H]3CCC(CO)C132.
What is the InChIKey of [(2S,5R,8R,11S)-11-methoxy-6,6,8-trimethyl-2-tricyclo[6.3.0.01,5]undecanyl]methanol?
The InChIKey is GHENTVCCMFGXJL-CGYUPCHJSA-N. The full InChI is InChI=1S/C16H28O2/c1-14(2)10-15(3)8-7-13(18-4)16(15)11(9-17)5-6-12(14)16/h11-13,17H,5-10H2,1-4H3/t11?,12-,13+,15-,16?/m1/s1.
What are the key properties of [(2S,5R,8R,11S)-11-methoxy-6,6,8-trimethyl-2-tricyclo[6.3.0.01,5]undecanyl]methanol?
[(2S,5R,8R,11S)-11-methoxy-6,6,8-trimethyl-2-tricyclo[6.3.0.01,5]undecanyl]methanol has a molecular weight of 252.40 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R,8R,11S)-11-methoxy-6,6,8-trimethyl-2-tricyclo[6.3.0.01,5]undecanyl]methanol is sourced from PubChem (CID 134732384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).