4,8-dimethylbicyclo[3.3.1]nonan-2-ol

C11H20O — CID 57166939

IUPAC4,8-dimethylbicyclo[3.3.1]nonan-2-ol
SMILESCC1CC(O)C2CC1CCC2C
InChIInChI=1S/C11H20O/c1-7-3-4-9-6-10(7)11(12)5-8(9)2/h7-12H,3-6H2,1-2H3
InChIKeyYUHPGHSGJLLZIQ-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.44
Rot. Bonds

About 4,8-dimethylbicyclo[3.3.1]nonan-2-ol

4,8-dimethylbicyclo[3.3.1]nonan-2-ol (PubChem CID 57166939) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4,8-dimethylbicyclo[3.3.1]nonan-2-ol.

Molecular Properties

Compound Name4,8-dimethylbicyclo[3.3.1]nonan-2-ol
PubChem CID57166939
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4,8-dimethylbicyclo[3.3.1]nonan-2-ol
SMILESCC1CC(O)C2CC1CCC2C
InChIInChI=1S/C11H20O/c1-7-3-4-9-6-10(7)11(12)5-8(9)2/h7-12H,3-6H2,1-2H3
InChIKeyYUHPGHSGJLLZIQ-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S)-2-methylbicyclo[3.1.0]hexane
CID 154518403
(1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol
CID 131124362
(1R,2R,5R)-bicyclo[3.1.0]hexan-2-ol
CID 124541760
(2S)-bicyclo[3.1.0]hexan-2-ol
CID 145089467
4,5-dimethylcyclohexane-1,2-diol
CID 13429582
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
cis-(1R,2S)-3-methylcyclopentane-1,2-diol
CID 66664692
(1S,2R,3S)-3-methylcyclopentane-1,2-diol
CID 11863599
9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 58312204
7-methyltricyclo[4.3.1.03,10]decane
CID 147439470
1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 54398064
5-(4-hydroxy-2-methylcyclohexyl)-2-methylcyclohexan-1-ol
CID 139824932

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethylbicyclo[3.3.1]nonan-2-ol?
The IUPAC name of 4,8-dimethylbicyclo[3.3.1]nonan-2-ol (CID 57166939) is 4,8-dimethylbicyclo[3.3.1]nonan-2-ol.
What is the SMILES notation for 4,8-dimethylbicyclo[3.3.1]nonan-2-ol?
The canonical SMILES for 4,8-dimethylbicyclo[3.3.1]nonan-2-ol is CC1CC(O)C2CC1CCC2C.
What is the InChIKey of 4,8-dimethylbicyclo[3.3.1]nonan-2-ol?
The InChIKey is YUHPGHSGJLLZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-7-3-4-9-6-10(7)11(12)5-8(9)2/h7-12H,3-6H2,1-2H3.
What are the key properties of 4,8-dimethylbicyclo[3.3.1]nonan-2-ol?
4,8-dimethylbicyclo[3.3.1]nonan-2-ol has a molecular weight of 168.28 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethylbicyclo[3.3.1]nonan-2-ol is sourced from PubChem (CID 57166939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).