3,7,7-trimethyl-3-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane

C20H34 — CID 23528937

IUPAC3,7,7-trimethyl-3-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane
SMILESCC1CC2C(CC1C1(C)CCC3C(C1)C3(C)C)C2(C)C
InChIInChI=1S/C20H34/c1-12-9-15-16(19(15,4)5)10-14(12)20(6)8-7-13-17(11-20)18(13,2)3/h12-17H,7-11H2,1-6H3
InChIKeyLWTAVOGGVIWXQU-UHFFFAOYSA-N
MW274.49 g/mol
LogP5.77
Rot. Bonds1

About 3,7,7-trimethyl-3-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane

3,7,7-trimethyl-3-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane (PubChem CID 23528937) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 3,7,7-trimethyl-3-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3,7,7-trimethyl-3-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane
PubChem CID23528937
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name3,7,7-trimethyl-3-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane
SMILESCC1CC2C(CC1C1(C)CCC3C(C1)C3(C)C)C2(C)C
InChIInChI=1S/C20H34/c1-12-9-15-16(19(15,4)5)10-14(12)20(6)8-7-13-17(11-20)18(13,2)3/h12-17H,7-11H2,1-6H3
InChIKeyLWTAVOGGVIWXQU-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,7,7-trimethyl-3-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane?
The IUPAC name of 3,7,7-trimethyl-3-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane (CID 23528937) is 3,7,7-trimethyl-3-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane.
What is the SMILES notation for 3,7,7-trimethyl-3-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane?
The canonical SMILES for 3,7,7-trimethyl-3-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane is CC1CC2C(CC1C1(C)CCC3C(C1)C3(C)C)C2(C)C.
What is the InChIKey of 3,7,7-trimethyl-3-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane?
The InChIKey is LWTAVOGGVIWXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-12-9-15-16(19(15,4)5)10-14(12)20(6)8-7-13-17(11-20)18(13,2)3/h12-17H,7-11H2,1-6H3.
What are the key properties of 3,7,7-trimethyl-3-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane?
3,7,7-trimethyl-3-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane has a molecular weight of 274.49 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,7-trimethyl-3-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane is sourced from PubChem (CID 23528937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).