(3R,4R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane

C11H20 — CID 138967049

IUPAC(3R,4R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane
SMILESC[C@@H]1CC2C(C[C@H]1C)C2(C)C
InChIInChI=1S/C11H20/c1-7-5-9-10(6-8(7)2)11(9,3)4/h7-10H,5-6H2,1-4H3/t7-,8-,9?,10?/m1/s1
InChIKeyVVWVKYAIPIBWDF-LGUIWLBCSA-N
MW152.28 g/mol
LogP3.32
Rot. Bonds

About (3R,4R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane

(3R,4R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane (PubChem CID 138967049) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (3R,4R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(3R,4R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane
PubChem CID138967049
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(3R,4R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane
SMILESC[C@@H]1CC2C(C[C@H]1C)C2(C)C
InChIInChI=1S/C11H20/c1-7-5-9-10(6-8(7)2)11(9,3)4/h7-10H,5-6H2,1-4H3/t7-,8-,9?,10?/m1/s1
InChIKeyVVWVKYAIPIBWDF-LGUIWLBCSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane?
The IUPAC name of (3R,4R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane (CID 138967049) is (3R,4R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane.
What is the SMILES notation for (3R,4R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane?
The canonical SMILES for (3R,4R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane is C[C@@H]1CC2C(C[C@H]1C)C2(C)C.
What is the InChIKey of (3R,4R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane?
The InChIKey is VVWVKYAIPIBWDF-LGUIWLBCSA-N. The full InChI is InChI=1S/C11H20/c1-7-5-9-10(6-8(7)2)11(9,3)4/h7-10H,5-6H2,1-4H3/t7-,8-,9?,10?/m1/s1.
What are the key properties of (3R,4R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane?
(3R,4R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane has a molecular weight of 152.28 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane is sourced from PubChem (CID 138967049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).