(1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol

C15H26O — CID 91746522

IUPAC(1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol
SMILESC[C@@H]1CC[C@]23C1CC[C@@]2(C)C[C@](C)(O)[C@H]3C
InChIInChI=1S/C15H26O/c1-10-5-8-15-11(2)14(4,16)9-13(15,3)7-6-12(10)15/h10-12,16H,5-9H2,1-4H3/t10-,11-,12?,13+,14+,15+/m1/s1
InChIKeySNSNYEAITDGGIF-JNFIVRNDSA-N
MW222.37 g/mol
LogP3.61
Rot. Bonds

About (1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol

(1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol (PubChem CID 91746522) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol.

Molecular Properties

Compound Name(1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol
PubChem CID91746522
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol
SMILESC[C@@H]1CC[C@]23C1CC[C@@]2(C)C[C@](C)(O)[C@H]3C
InChIInChI=1S/C15H26O/c1-10-5-8-15-11(2)14(4,16)9-13(15,3)7-6-12(10)15/h10-12,16H,5-9H2,1-4H3/t10-,11-,12?,13+,14+,15+/m1/s1
InChIKeySNSNYEAITDGGIF-JNFIVRNDSA-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 (1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol with MolForge

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Related Compounds

(2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol
CID 91748571
(1S,3S,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol
CID 163194536
(1S,2R,5S,8S,9R)-5,9-dimethyltricyclo[6.3.0.01,5]undec-3-en-2-ol
CID 95565361
1,2,3-trimethylcyclopentan-1-ol
CID 23077337
[(1R,2S,5R,8R,9S)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methanol
CID 12040933
[(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol
CID 18389944
(1aS,4S,4aR,7R,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulene-4,7-diol
CID 40630704
(1aR,4R,4aR,7R,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulene-4,7-diol
CID 42433551
(1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol
CID 162912305
(1aS,4R,4aS,7S,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
CID 162940151
1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[h]azulene-4,4a-diol
CID 4137034
(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

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol?
The IUPAC name of (1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol (CID 91746522) is (1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol.
What is the SMILES notation for (1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol?
The canonical SMILES for (1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol is C[C@@H]1CC[C@]23C1CC[C@@]2(C)C[C@](C)(O)[C@H]3C.
What is the InChIKey of (1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol?
The InChIKey is SNSNYEAITDGGIF-JNFIVRNDSA-N. The full InChI is InChI=1S/C15H26O/c1-10-5-8-15-11(2)14(4,16)9-13(15,3)7-6-12(10)15/h10-12,16H,5-9H2,1-4H3/t10-,11-,12?,13+,14+,15+/m1/s1.
What are the key properties of (1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol?
(1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-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 (1R,2S,3S,5S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-3-ol is sourced from PubChem (CID 91746522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).