1,7-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane

C18H30 — CID 91996954

IUPAC1,7-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane
SMILESCC1C2CCC(C2)C1CC1CC2CCC1(C)C2C
InChIInChI=1S/C18H30/c1-11-13-4-5-15(8-13)17(11)10-16-9-14-6-7-18(16,3)12(14)2/h11-17H,4-10H2,1-3H3
InChIKeyINZGIRZITGKPFI-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.13
Rot. Bonds2

About 1,7-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane

1,7-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane (PubChem CID 91996954) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1,7-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,7-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane
PubChem CID91996954
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1,7-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane
SMILESCC1C2CCC(C2)C1CC1CC2CCC1(C)C2C
InChIInChI=1S/C18H30/c1-11-13-4-5-15(8-13)17(11)10-16-9-14-6-7-18(16,3)12(14)2/h11-17H,4-10H2,1-3H3
InChIKeyINZGIRZITGKPFI-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 1,7-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane?
The IUPAC name of 1,7-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane (CID 91996954) is 1,7-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 1,7-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 1,7-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane is CC1C2CCC(C2)C1CC1CC2CCC1(C)C2C.
What is the InChIKey of 1,7-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane?
The InChIKey is INZGIRZITGKPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-11-13-4-5-15(8-13)17(11)10-16-9-14-6-7-18(16,3)12(14)2/h11-17H,4-10H2,1-3H3.
What are the key properties of 1,7-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane?
1,7-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 1,7-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 91996954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).