(4R)-tricyclo[4.1.1.02,4]octa-1(7),6-diene

C8H8 — CID 163508443

IUPAC(4R)-tricyclo[4.1.1.02,4]octa-1(7),6-diene
SMILESC1=C2CC=1C1C[C@@H]1C2
InChIInChI=1S/C8H8/c1-5-2-6(1)8-4-7(8)3-5/h7-8H,1,3-4H2/t7-,8?/m0/s1
InChIKeyDAPCTTFVJVOODQ-JAMMHHFISA-N
MW104.15 g/mol
LogP1.88
Rot. Bonds

About (4R)-tricyclo[4.1.1.02,4]octa-1(7),6-diene

(4R)-tricyclo[4.1.1.02,4]octa-1(7),6-diene (PubChem CID 163508443) has the molecular formula C8H8 and a molecular weight of 104.15 g/mol. Its IUPAC name is (4R)-tricyclo[4.1.1.02,4]octa-1(7),6-diene.

Molecular Properties

Compound Name(4R)-tricyclo[4.1.1.02,4]octa-1(7),6-diene
PubChem CID163508443
Molecular FormulaC8H8
Molecular Weight104.15 g/mol
Exact Mass104.06
IUPAC Name(4R)-tricyclo[4.1.1.02,4]octa-1(7),6-diene
SMILESC1=C2CC=1C1C[C@@H]1C2
InChIInChI=1S/C8H8/c1-5-2-6(1)8-4-7(8)3-5/h7-8H,1,3-4H2/t7-,8?/m0/s1
InChIKeyDAPCTTFVJVOODQ-JAMMHHFISA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4R)-tricyclo[4.1.1.02,4]octa-1(7),6-diene?
The IUPAC name of (4R)-tricyclo[4.1.1.02,4]octa-1(7),6-diene (CID 163508443) is (4R)-tricyclo[4.1.1.02,4]octa-1(7),6-diene.
What is the SMILES notation for (4R)-tricyclo[4.1.1.02,4]octa-1(7),6-diene?
The canonical SMILES for (4R)-tricyclo[4.1.1.02,4]octa-1(7),6-diene is C1=C2CC=1C1C[C@@H]1C2.
What is the InChIKey of (4R)-tricyclo[4.1.1.02,4]octa-1(7),6-diene?
The InChIKey is DAPCTTFVJVOODQ-JAMMHHFISA-N. The full InChI is InChI=1S/C8H8/c1-5-2-6(1)8-4-7(8)3-5/h7-8H,1,3-4H2/t7-,8?/m0/s1.
What are the key properties of (4R)-tricyclo[4.1.1.02,4]octa-1(7),6-diene?
(4R)-tricyclo[4.1.1.02,4]octa-1(7),6-diene has a molecular weight of 104.15 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-tricyclo[4.1.1.02,4]octa-1(7),6-diene is sourced from PubChem (CID 163508443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).