(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane

C9H16 — CID 91146278

IUPAC(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane
SMILESCC1(C)[C@@H]2CCC[C@@H]1C2
InChIInChI=1S/C9H16/c1-9(2)7-4-3-5-8(9)6-7/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyUCZTUROBDISEKY-HTQZYQBOSA-N
MW124.23 g/mol
LogP2.83
Rot. Bonds

About (1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane

(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane (PubChem CID 91146278) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Name(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane
PubChem CID91146278
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane
SMILESCC1(C)[C@@H]2CCC[C@@H]1C2
InChIInChI=1S/C9H16/c1-9(2)7-4-3-5-8(9)6-7/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyUCZTUROBDISEKY-HTQZYQBOSA-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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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane?
The IUPAC name of (1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane (CID 91146278) is (1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane.
What is the SMILES notation for (1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane?
The canonical SMILES for (1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane is CC1(C)[C@@H]2CCC[C@@H]1C2.
What is the InChIKey of (1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane?
The InChIKey is UCZTUROBDISEKY-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H16/c1-9(2)7-4-3-5-8(9)6-7/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane?
(1R,5R)-6,6-dimethylbicyclo[3.1.1]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 (1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane is sourced from PubChem (CID 91146278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).