2,3-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane

C18H30 — CID 20706073

IUPAC2,3-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane
SMILESCC1C2CCC(C2)C1CC1(C)C2CCC(C2)C1C
InChIInChI=1S/C18H30/c1-11-13-4-5-15(8-13)17(11)10-18(3)12(2)14-6-7-16(18)9-14/h11-17H,4-10H2,1-3H3
InChIKeyUGJQHDCYGHLHQJ-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.13
Rot. Bonds2

About 2,3-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane

2,3-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane (PubChem CID 20706073) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 2,3-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane
PubChem CID20706073
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name2,3-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane
SMILESCC1C2CCC(C2)C1CC1(C)C2CCC(C2)C1C
InChIInChI=1S/C18H30/c1-11-13-4-5-15(8-13)17(11)10-18(3)12(2)14-6-7-16(18)9-14/h11-17H,4-10H2,1-3H3
InChIKeyUGJQHDCYGHLHQJ-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2,3-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane (CID 20706073) is 2,3-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane is CC1C2CCC(C2)C1CC1(C)C2CCC(C2)C1C.
What is the InChIKey of 2,3-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane?
The InChIKey is UGJQHDCYGHLHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-11-13-4-5-15(8-13)17(11)10-18(3)12(2)14-6-7-16(18)9-14/h11-17H,4-10H2,1-3H3.
What are the key properties of 2,3-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane?
2,3-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane has a molecular weight of 246.44 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 20706073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).