(2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol

C15H26O — CID 91748571

IUPAC(2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol
SMILESC[C@@H]1CCC23[C@H](O)C(C)(C)C[C@]2(C)CC[C@@H]13
InChIInChI=1S/C15H26O/c1-10-5-8-15-11(10)6-7-14(15,4)9-13(2,3)12(15)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14+,15?/m1/s1
InChIKeyLRIBGOUPVPELII-QAOGVCBXSA-N
MW222.37 g/mol
LogP3.61
Rot. Bonds

About (2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol

(2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol (PubChem CID 91748571) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol.

Molecular Properties

Compound Name(2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol
PubChem CID91748571
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol
SMILESC[C@@H]1CCC23[C@H](O)C(C)(C)C[C@]2(C)CC[C@@H]13
InChIInChI=1S/C15H26O/c1-10-5-8-15-11(10)6-7-14(15,4)9-13(2,3)12(15)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14+,15?/m1/s1
InChIKeyLRIBGOUPVPELII-QAOGVCBXSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol with MolForge

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Related Compounds

(1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol
CID 91746522
(1S,2R,5S,8S,9R)-5,9-dimethyltricyclo[6.3.0.01,5]undec-3-en-2-ol
CID 95565361
(1S,3S,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol
CID 163194536
cis-(1S,5R)-2,2,5-trimethylcyclopentan-1-ol
CID 101036298
[(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methanol
CID 12040933
2-hydroxy-1,3-dimethylcyclopentane-1-carboxylic acid
CID 130685696
[(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol
CID 18389944
ethane;1,1,2,3,3-pentamethylcyclobutane
CID 177318359
(1R,2S,5R,8R)-2,6,6,8-tetramethyltricyclo[6.3.0.01,5]undecane
CID 162924951
(1aR,4S,4aS,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[h]azulene-4,4a-diol
CID 15275582
1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[h]azulene-4,4a-diol
CID 4137034
(1aS,3aR,4S,7R,7aR,7bR)-3a-(hydroxymethyl)-1,1,7-trimethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[a]naphthalen-4-ol
CID 98105517

Frequently Asked Questions

What is the IUPAC name of (2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol?
The IUPAC name of (2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol (CID 91748571) is (2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol.
What is the SMILES notation for (2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol?
The canonical SMILES for (2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol is C[C@@H]1CCC23[C@H](O)C(C)(C)C[C@]2(C)CC[C@@H]13.
What is the InChIKey of (2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol?
The InChIKey is LRIBGOUPVPELII-QAOGVCBXSA-N. The full InChI is InChI=1S/C15H26O/c1-10-5-8-15-11(10)6-7-14(15,4)9-13(2,3)12(15)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14+,15?/m1/s1.
What are the key properties of (2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol?
(2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol has a molecular weight of 222.37 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol is sourced from PubChem (CID 91748571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).