3,5-dimethylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C58H108O6 — CID 158725943

IUPAC3,5-dimethylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)C2.CC1(C)C2CC[C@]1(C)[C@@H](O)C2.CC1(C)C2CC[C@]1(C)[C@H](O)C2.CC12CCC(C1)C(C)(C)C2O.CC1CC(C)CC(O)C1.CC1CCC(C(C)C)C(O)C1
InChIInChI=1S/4C10H18O.C10H20O.C8H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11;3*1-9(2)7-4-5-10(9,3)8(11)6-7;1-7(2)9-5-4-8(3)6-10(9)11;1-6-3-7(2)5-8(9)4-6/h4*7-8,11H,4-6H2,1-3H3;7-11H,4-6H2,1-3H3;6-9H,3-5H2,1-2H3/t;7?,8-,10+;7?,8-,10-;;;/m.01.../s1
InChIKeyIKMRSVHUQQPYIW-RMSGPETHSA-N
MW901.50 g/mol
LogP13.02
Rot. Bonds1

About 3,5-dimethylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

3,5-dimethylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 158725943) has the molecular formula C58H108O6 and a molecular weight of 901.50 g/mol. Its IUPAC name is 3,5-dimethylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name3,5-dimethylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID158725943
Molecular FormulaC58H108O6
Molecular Weight901.50 g/mol
Exact Mass900.81
IUPAC Name3,5-dimethylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)C2.CC1(C)C2CC[C@]1(C)[C@@H](O)C2.CC1(C)C2CC[C@]1(C)[C@H](O)C2.CC12CCC(C1)C(C)(C)C2O.CC1CC(C)CC(O)C1.CC1CCC(C(C)C)C(O)C1
InChIInChI=1S/4C10H18O.C10H20O.C8H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11;3*1-9(2)7-4-5-10(9,3)8(11)6-7;1-7(2)9-5-4-8(3)6-10(9)11;1-6-3-7(2)5-8(9)4-6/h4*7-8,11H,4-6H2,1-3H3;7-11H,4-6H2,1-3H3;6-9H,3-5H2,1-2H3/t;7?,8-,10+;7?,8-,10-;;;/m.01.../s1
InChIKeyIKMRSVHUQQPYIW-RMSGPETHSA-N
XLogP13.02
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500901.50
LogP ≤ 513.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol with MolForge

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Related Compounds

(1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 135369493
3,7-dimethylocta-1,6-dien-3-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 67878390
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
formic acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175147458
formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)
CID 174915941
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea
CID 170163545
phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175476100
octanoic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175142165

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 3,5-dimethylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 158725943) is 3,5-dimethylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 3,5-dimethylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 3,5-dimethylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)C2CCC1(C)C(O)C2.CC1(C)C2CC[C@]1(C)[C@@H](O)C2.CC1(C)C2CC[C@]1(C)[C@H](O)C2.CC12CCC(C1)C(C)(C)C2O.CC1CC(C)CC(O)C1.CC1CCC(C(C)C)C(O)C1.
What is the InChIKey of 3,5-dimethylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is IKMRSVHUQQPYIW-RMSGPETHSA-N. The full InChI is InChI=1S/4C10H18O.C10H20O.C8H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11;3*1-9(2)7-4-5-10(9,3)8(11)6-7;1-7(2)9-5-4-8(3)6-10(9)11;1-6-3-7(2)5-8(9)4-6/h4*7-8,11H,4-6H2,1-3H3;7-11H,4-6H2,1-3H3;6-9H,3-5H2,1-2H3/t;7?,8-,10+;7?,8-,10-;;;/m.01.../s1.
What are the key properties of 3,5-dimethylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
3,5-dimethylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 901.50 g/mol, XLogP of 13.02, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-ol;(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 158725943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).