1,7-dimethylbicyclo[2.2.1]heptane

C9H16 — CID 20745064

IUPAC1,7-dimethylbicyclo[2.2.1]heptane
SMILESCC1C2CCC1(C)CC2
InChIInChI=1S/C9H16/c1-7-8-3-5-9(7,2)6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyJAIWHHNNVOSSPZ-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.83
Rot. Bonds

About 1,7-dimethylbicyclo[2.2.1]heptane

1,7-dimethylbicyclo[2.2.1]heptane (PubChem CID 20745064) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1,7-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,7-dimethylbicyclo[2.2.1]heptane
PubChem CID20745064
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1,7-dimethylbicyclo[2.2.1]heptane
SMILESCC1C2CCC1(C)CC2
InChIInChI=1S/C9H16/c1-7-8-3-5-9(7,2)6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyJAIWHHNNVOSSPZ-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Bornane
CID 92108
(1R)-(-)-Thiocamphor
CID 1714210
Thiocamphor
CID 5446
Isocamphane
CID 296894
Bicyclo(2.2.1)heptane, 2-ethyl-
CID 137449
Thujane
CID 79017
Norbornane, 2-isobutyl-
CID 565405
7,7-Dimethyl-bicyclo(2.2.1)heptane
CID 137289
Fenchane
CID 138701
1-Methylnorbornane
CID 139085
2,3-Dimethylbicyclo(2.2.1)heptane
CID 140711
(1R)-1,7,7-Trimethylbicyclo[2.2.1]heptane-2-thione
CID 12470051

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 1,7-dimethylbicyclo[2.2.1]heptane (CID 20745064) is 1,7-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 1,7-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 1,7-dimethylbicyclo[2.2.1]heptane is CC1C2CCC1(C)CC2.
What is the InChIKey of 1,7-dimethylbicyclo[2.2.1]heptane?
The InChIKey is JAIWHHNNVOSSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-7-8-3-5-9(7,2)6-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,7-dimethylbicyclo[2.2.1]heptane?
1,7-dimethylbicyclo[2.2.1]heptane has a molecular weight of 124.23 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 20745064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).