3-tert-butyltetracyclo[3.2.0.02,7.04,6]heptane

C11H16 — CID 86113974

IUPAC3-tert-butyltetracyclo[3.2.0.02,7.04,6]heptane
SMILESCC(C)(C)C1C2C3C2C2C3C21
InChIInChI=1S/C11H16/c1-11(2,3)10-8-4-5(8)7-6(4)9(7)10/h4-10H,1-3H3
InChIKeyPQRGJJIILIVZGJ-UHFFFAOYSA-N
MW148.25 g/mol
LogP2.40
Rot. Bonds

About 3-tert-butyltetracyclo[3.2.0.02,7.04,6]heptane

3-tert-butyltetracyclo[3.2.0.02,7.04,6]heptane (PubChem CID 86113974) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 3-tert-butyltetracyclo[3.2.0.02,7.04,6]heptane.

Molecular Properties

Compound Name3-tert-butyltetracyclo[3.2.0.02,7.04,6]heptane
PubChem CID86113974
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name3-tert-butyltetracyclo[3.2.0.02,7.04,6]heptane
SMILESCC(C)(C)C1C2C3C2C2C3C21
InChIInChI=1S/C11H16/c1-11(2,3)10-8-4-5(8)7-6(4)9(7)10/h4-10H,1-3H3
InChIKeyPQRGJJIILIVZGJ-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyltetracyclo[3.2.0.02,7.04,6]heptane?
The IUPAC name of 3-tert-butyltetracyclo[3.2.0.02,7.04,6]heptane (CID 86113974) is 3-tert-butyltetracyclo[3.2.0.02,7.04,6]heptane.
What is the SMILES notation for 3-tert-butyltetracyclo[3.2.0.02,7.04,6]heptane?
The canonical SMILES for 3-tert-butyltetracyclo[3.2.0.02,7.04,6]heptane is CC(C)(C)C1C2C3C2C2C3C21.
What is the InChIKey of 3-tert-butyltetracyclo[3.2.0.02,7.04,6]heptane?
The InChIKey is PQRGJJIILIVZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-11(2,3)10-8-4-5(8)7-6(4)9(7)10/h4-10H,1-3H3.
What are the key properties of 3-tert-butyltetracyclo[3.2.0.02,7.04,6]heptane?
3-tert-butyltetracyclo[3.2.0.02,7.04,6]heptane has a molecular weight of 148.25 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyltetracyclo[3.2.0.02,7.04,6]heptane is sourced from PubChem (CID 86113974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).