2,3-dimethyl-5-methylbicyclo[2.2.1]heptane

C10H17+ — CID 144530808

IUPAC2,3-dimethyl-5-methylbicyclo[2.2.1]heptane
SMILES[CH2+]C1CC2CC1C(C)C2C
InChIInChI=1S/C10H17/c1-6-4-9-5-10(6)8(3)7(9)2/h6-10H,1,4-5H2,2-3H3/q+1
InChIKeyOEBWHPHIOWAGOU-UHFFFAOYSA-N
MW137.25 g/mol
LogP2.75
Rot. Bonds

About 2,3-dimethyl-5-methylbicyclo[2.2.1]heptane

2,3-dimethyl-5-methylbicyclo[2.2.1]heptane (PubChem CID 144530808) has the molecular formula C10H17+ and a molecular weight of 137.25 g/mol. Its IUPAC name is 2,3-dimethyl-5-methylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-dimethyl-5-methylbicyclo[2.2.1]heptane
PubChem CID144530808
Molecular FormulaC10H17+
Molecular Weight137.25 g/mol
Exact Mass137.13
IUPAC Name2,3-dimethyl-5-methylbicyclo[2.2.1]heptane
SMILES[CH2+]C1CC2CC1C(C)C2C
InChIInChI=1S/C10H17/c1-6-4-9-5-10(6)8(3)7(9)2/h6-10H,1,4-5H2,2-3H3/q+1
InChIKeyOEBWHPHIOWAGOU-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(5R)-2,3,5-trimethylbicyclo[2.2.1]heptane
CID 59217509
(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
2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane)
CID 160833489
1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene
CID 59883784
2-methyl-1,3-di(methyl)cyclobutane
CID 91257797
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol
CID 20721971
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
2-methyl-1-methylcyclopropane
CID 156629370
5-ethynoxy-2,3-dimethylbicyclo[2.2.1]heptane
CID 122683103
(2R,3S,4R)-2,3,5-trimethylbicyclo[2.1.1]hexane
CID 163604694
2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol
CID 23405415
(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

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-methylbicyclo[2.2.1]heptane?
The IUPAC name of 2,3-dimethyl-5-methylbicyclo[2.2.1]heptane (CID 144530808) is 2,3-dimethyl-5-methylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-dimethyl-5-methylbicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-dimethyl-5-methylbicyclo[2.2.1]heptane is [CH2+]C1CC2CC1C(C)C2C.
What is the InChIKey of 2,3-dimethyl-5-methylbicyclo[2.2.1]heptane?
The InChIKey is OEBWHPHIOWAGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17/c1-6-4-9-5-10(6)8(3)7(9)2/h6-10H,1,4-5H2,2-3H3/q+1.
What are the key properties of 2,3-dimethyl-5-methylbicyclo[2.2.1]heptane?
2,3-dimethyl-5-methylbicyclo[2.2.1]heptane has a molecular weight of 137.25 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-methylbicyclo[2.2.1]heptane is sourced from PubChem (CID 144530808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).