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

C20H34 — CID 23528936

IUPAC3,7,7-trimethyl-3-(3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane
SMILESCC1(C)C2CCC(C)(C3(C)CCC4C(C3)C4(C)C)CC21
InChIInChI=1S/C20H34/c1-17(2)13-7-9-19(5,11-15(13)17)20(6)10-8-14-16(12-20)18(14,3)4/h13-16H,7-12H2,1-6H3
InChIKeyKCQVNKKYRUNJGD-UHFFFAOYSA-N
MW274.49 g/mol
LogP5.91
Rot. Bonds1

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

3,7,7-trimethyl-3-(3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane (PubChem CID 23528936) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 3,7,7-trimethyl-3-(3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3,7,7-trimethyl-3-(3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane
PubChem CID23528936
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name3,7,7-trimethyl-3-(3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane
SMILESCC1(C)C2CCC(C)(C3(C)CCC4C(C3)C4(C)C)CC21
InChIInChI=1S/C20H34/c1-17(2)13-7-9-19(5,11-15(13)17)20(6)10-8-14-16(12-20)18(14,3)4/h13-16H,7-12H2,1-6H3
InChIKeyKCQVNKKYRUNJGD-UHFFFAOYSA-N
XLogP5.91
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 ≤ 55.91
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-(3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane?
The IUPAC name of 3,7,7-trimethyl-3-(3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane (CID 23528936) is 3,7,7-trimethyl-3-(3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane.
What is the SMILES notation for 3,7,7-trimethyl-3-(3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane?
The canonical SMILES for 3,7,7-trimethyl-3-(3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane is CC1(C)C2CCC(C)(C3(C)CCC4C(C3)C4(C)C)CC21.
What is the InChIKey of 3,7,7-trimethyl-3-(3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane?
The InChIKey is KCQVNKKYRUNJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-17(2)13-7-9-19(5,11-15(13)17)20(6)10-8-14-16(12-20)18(14,3)4/h13-16H,7-12H2,1-6H3.
What are the key properties of 3,7,7-trimethyl-3-(3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane?
3,7,7-trimethyl-3-(3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane has a molecular weight of 274.49 g/mol, XLogP of 5.91, 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-(3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane is sourced from PubChem (CID 23528936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).