(1S,2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol

C15H26O — CID 10846702

IUPAC(1S,2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol
SMILESC[C@@H]1CC[C@@]23[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-FMKNKJFCSA-N
MW222.37 g/mol
LogP3.61
Rot. Bonds

About (1S,2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol

(1S,2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol (PubChem CID 10846702) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1S,2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol.

Molecular Properties

Compound Name(1S,2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol
PubChem CID10846702
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1S,2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol
SMILESC[C@@H]1CC[C@@]23[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-FMKNKJFCSA-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 (1S,2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol?
The IUPAC name of (1S,2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol (CID 10846702) is (1S,2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol.
What is the SMILES notation for (1S,2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol?
The canonical SMILES for (1S,2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol is C[C@@H]1CC[C@@]23[C@H](O)C(C)(C)C[C@]2(C)CC[C@@H]13.
What is the InChIKey of (1S,2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol?
The InChIKey is LRIBGOUPVPELII-FMKNKJFCSA-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 (1S,2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol?
(1S,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 (1S,2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol is sourced from PubChem (CID 10846702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).