(5R)-2,3,5-trimethylbicyclo[2.2.1]heptane

C10H18 — CID 59217509

IUPAC(5R)-2,3,5-trimethylbicyclo[2.2.1]heptane
SMILESCC1C2CC(C1C)[C@H](C)C2
InChIInChI=1S/C10H18/c1-6-4-9-5-10(6)8(3)7(9)2/h6-10H,4-5H2,1-3H3/t6-,7?,8?,9?,10?/m1/s1
InChIKeyLFFRHZAGVMODPV-VUTZLFHMSA-N
MW138.25 g/mol
LogP2.93
Rot. Bonds

About (5R)-2,3,5-trimethylbicyclo[2.2.1]heptane

(5R)-2,3,5-trimethylbicyclo[2.2.1]heptane (PubChem CID 59217509) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (5R)-2,3,5-trimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(5R)-2,3,5-trimethylbicyclo[2.2.1]heptane
PubChem CID59217509
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(5R)-2,3,5-trimethylbicyclo[2.2.1]heptane
SMILESCC1C2CC(C1C)[C@H](C)C2
InChIInChI=1S/C10H18/c1-6-4-9-5-10(6)8(3)7(9)2/h6-10H,4-5H2,1-3H3/t6-,7?,8?,9?,10?/m1/s1
InChIKeyLFFRHZAGVMODPV-VUTZLFHMSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane)
CID 160833489
(2S,3R,5S)-3,5-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;(2S,3S,5S)-2,3,5-trimethylbicyclo[2.2.1]heptane
CID 91447754
2,3-dimethyl-5-methylbicyclo[2.2.1]heptane
CID 144530808
3,6-dimethylbicyclo[2.2.1]heptane-2-carbonitrile
CID 3519416
ethane;2,4,6-trimethylbicyclo[3.1.1]heptane
CID 143259868
(2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane
CID 162406126
(4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 123960499
2-hydroxyethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;2,3,5-trimethylbicyclo[2.2.1]heptane
CID 123862631
(2S)-2-methylbicyclo[2.2.0]hexane
CID 174068638
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol
CID 20721971
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991

Frequently Asked Questions

What is the IUPAC name of (5R)-2,3,5-trimethylbicyclo[2.2.1]heptane?
The IUPAC name of (5R)-2,3,5-trimethylbicyclo[2.2.1]heptane (CID 59217509) is (5R)-2,3,5-trimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for (5R)-2,3,5-trimethylbicyclo[2.2.1]heptane?
The canonical SMILES for (5R)-2,3,5-trimethylbicyclo[2.2.1]heptane is CC1C2CC(C1C)[C@H](C)C2.
What is the InChIKey of (5R)-2,3,5-trimethylbicyclo[2.2.1]heptane?
The InChIKey is LFFRHZAGVMODPV-VUTZLFHMSA-N. The full InChI is InChI=1S/C10H18/c1-6-4-9-5-10(6)8(3)7(9)2/h6-10H,4-5H2,1-3H3/t6-,7?,8?,9?,10?/m1/s1.
What are the key properties of (5R)-2,3,5-trimethylbicyclo[2.2.1]heptane?
(5R)-2,3,5-trimethylbicyclo[2.2.1]heptane has a molecular weight of 138.25 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,3,5-trimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 59217509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).