(1R,2R,6R)-2-methyl-6-[(1R,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol

C17H30O — CID 124867350

IUPAC(1R,2R,6R)-2-methyl-6-[(1R,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
SMILESC[C@@H]1CCC[C@H]([C@@H]2C[C@H]3C[C@H]2[C@@H](C)C3(C)C)[C@@H]1O
InChIInChI=1S/C17H30O/c1-10-6-5-7-13(16(10)18)15-9-12-8-14(15)11(2)17(12,3)4/h10-16,18H,5-9H2,1-4H3/t10-,11-,12-,13-,14+,15+,16-/m1/s1
InChIKeyDKDJZSWJGXMOQI-OTFNZQRDSA-N
MW250.43 g/mol
LogP4.10
Rot. Bonds1

About (1R,2R,6R)-2-methyl-6-[(1R,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol

(1R,2R,6R)-2-methyl-6-[(1R,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol (PubChem CID 124867350) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is (1R,2R,6R)-2-methyl-6-[(1R,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,6R)-2-methyl-6-[(1R,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
PubChem CID124867350
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name(1R,2R,6R)-2-methyl-6-[(1R,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
SMILESC[C@@H]1CCC[C@H]([C@@H]2C[C@H]3C[C@H]2[C@@H](C)C3(C)C)[C@@H]1O
InChIInChI=1S/C17H30O/c1-10-6-5-7-13(16(10)18)15-9-12-8-14(15)11(2)17(12,3)4/h10-16,18H,5-9H2,1-4H3/t10-,11-,12-,13-,14+,15+,16-/m1/s1
InChIKeyDKDJZSWJGXMOQI-OTFNZQRDSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2R,6R)-2-methyl-6-[(1R,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(1S,2R,6R)-2-methyl-6-[(1R,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 124867349
trans-(1R,3R)-3-[(1R,2S,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 34174776
4-[(1S,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 99133670
2-(2-hydroxy-4-methylcyclohexyl)-6-methylcyclohexan-1-ol
CID 139825110
2-(4-hydroxy-3-methylcyclohexyl)-6-methylcyclohexan-1-ol
CID 139825000
1-[1-hydroxy-4-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexyl]-3,3,5-trimethylcyclohexan-1-ol
CID 175316413
(1R,5S)-bicyclo[3.2.0]heptane-6,7-diol
CID 22814734
(1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol
CID 102586581
cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
CID 91373089
(1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol
CID 131124362
cis-(1R,2S)-1-methyl-2-[(1R,2R)-2-[(1S,2R)-2-[(1S,2S)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane;cis-(1R,2S)-1-methyl-2-[(1S,2S)-2-[(1S,2R)-2-[(1R,2R)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane
CID 157247128
(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane
CID 91146278

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R)-2-methyl-6-[(1R,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The IUPAC name of (1R,2R,6R)-2-methyl-6-[(1R,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol (CID 124867350) is (1R,2R,6R)-2-methyl-6-[(1R,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,6R)-2-methyl-6-[(1R,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The canonical SMILES for (1R,2R,6R)-2-methyl-6-[(1R,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol is C[C@@H]1CCC[C@H]([C@@H]2C[C@H]3C[C@H]2[C@@H](C)C3(C)C)[C@@H]1O.
What is the InChIKey of (1R,2R,6R)-2-methyl-6-[(1R,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
The InChIKey is DKDJZSWJGXMOQI-OTFNZQRDSA-N. The full InChI is InChI=1S/C17H30O/c1-10-6-5-7-13(16(10)18)15-9-12-8-14(15)11(2)17(12,3)4/h10-16,18H,5-9H2,1-4H3/t10-,11-,12-,13-,14+,15+,16-/m1/s1.
What are the key properties of (1R,2R,6R)-2-methyl-6-[(1R,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol?
(1R,2R,6R)-2-methyl-6-[(1R,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol has a molecular weight of 250.43 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R)-2-methyl-6-[(1R,2R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol is sourced from PubChem (CID 124867350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).