(1R,3R,7S,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undecan-3-ol

C15H28O — CID 163071950

IUPAC(1R,3R,7S,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undecan-3-ol
SMILESC[C@H]1CCC[C@@](C)(O)C[C@@H]2[C@H](CC1)C2(C)C
InChIInChI=1S/C15H28O/c1-11-6-5-9-15(4,16)10-13-12(8-7-11)14(13,2)3/h11-13,16H,5-10H2,1-4H3/t11-,12-,13+,15+/m0/s1
InChIKeyACQCKSNSPHLAFM-RMRHIDDWSA-N
MW224.39 g/mol
LogP4.00
Rot. Bonds

About (1R,3R,7S,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undecan-3-ol

(1R,3R,7S,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undecan-3-ol (PubChem CID 163071950) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is (1R,3R,7S,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undecan-3-ol.

Molecular Properties

Compound Name(1R,3R,7S,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undecan-3-ol
PubChem CID163071950
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name(1R,3R,7S,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undecan-3-ol
SMILESC[C@H]1CCC[C@@](C)(O)C[C@@H]2[C@H](CC1)C2(C)C
InChIInChI=1S/C15H28O/c1-11-6-5-9-15(4,16)10-13-12(8-7-11)14(13,2)3/h11-13,16H,5-10H2,1-4H3/t11-,12-,13+,15+/m0/s1
InChIKeyACQCKSNSPHLAFM-RMRHIDDWSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,3R,7S,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undecan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tetramethylnonanol
CID 22717396
2,3,3-Trimethyloctan-2-ol
CID 121216443
trans-(1R,2R)-2-butyl-1-methylcyclopropan-1-ol
CID 10855472
2-Hexyl-1-methylcyclopropan-1-ol
CID 11194459
2-Cyclopropylheptan-2-ol
CID 13600633
1-Heptyl-2-methylcyclopropan-1-ol
CID 14453687
(trans)-2-(2-Hexylcyclopropyl)propan-2-ol
CID 67160832
2,2,8,8,4-Penta-methyloctanol-4
CID 129808543
2,2,3-Trimethylnonan-3-ol
CID 12573334
5-(1-Cyclopropylcyclopropyl)-2-methylpentan-2-ol
CID 118043560
trans-(1R,2R)-1-methyl-2-octylcyclopropan-1-ol
CID 11423988
2-Ethyl-1-heptylcyclopropan-1-ol
CID 15498497

Frequently Asked Questions

What is the IUPAC name of (1R,3R,7S,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undecan-3-ol?
The IUPAC name of (1R,3R,7S,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undecan-3-ol (CID 163071950) is (1R,3R,7S,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undecan-3-ol.
What is the SMILES notation for (1R,3R,7S,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undecan-3-ol?
The canonical SMILES for (1R,3R,7S,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undecan-3-ol is C[C@H]1CCC[C@@](C)(O)C[C@@H]2[C@H](CC1)C2(C)C.
What is the InChIKey of (1R,3R,7S,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undecan-3-ol?
The InChIKey is ACQCKSNSPHLAFM-RMRHIDDWSA-N. The full InChI is InChI=1S/C15H28O/c1-11-6-5-9-15(4,16)10-13-12(8-7-11)14(13,2)3/h11-13,16H,5-10H2,1-4H3/t11-,12-,13+,15+/m0/s1.
What are the key properties of (1R,3R,7S,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undecan-3-ol?
(1R,3R,7S,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undecan-3-ol has a molecular weight of 224.39 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,7S,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undecan-3-ol is sourced from PubChem (CID 163071950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).