(1R,6S)-tricyclo[4.3.1.01,6]deca-2,4-diene

C10H12 — CID 637507

IUPAC(1R,6S)-tricyclo[4.3.1.01,6]deca-2,4-diene
SMILESC1=C[C@@]23CCC[C@]2(C=C1)C3
InChIInChI=1S/C10H12/c1-2-5-10-7-3-6-9(10,4-1)8-10/h1-2,4-5H,3,6-8H2/t9-,10+
InChIKeyNBQVIMNMHQYULH-AOOOYVTPSA-N
MW132.21 g/mol
LogP2.67
Rot. Bonds

About (1R,6S)-tricyclo[4.3.1.01,6]deca-2,4-diene

(1R,6S)-tricyclo[4.3.1.01,6]deca-2,4-diene (PubChem CID 637507) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is (1R,6S)-tricyclo[4.3.1.01,6]deca-2,4-diene.

Molecular Properties

Compound Name(1R,6S)-tricyclo[4.3.1.01,6]deca-2,4-diene
PubChem CID637507
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name(1R,6S)-tricyclo[4.3.1.01,6]deca-2,4-diene
SMILESC1=C[C@@]23CCC[C@]2(C=C1)C3
InChIInChI=1S/C10H12/c1-2-5-10-7-3-6-9(10,4-1)8-10/h1-2,4-5H,3,6-8H2/t9-,10+
InChIKeyNBQVIMNMHQYULH-AOOOYVTPSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R,6S)-tricyclo[4.3.1.01,6]deca-2,4-diene?
The IUPAC name of (1R,6S)-tricyclo[4.3.1.01,6]deca-2,4-diene (CID 637507) is (1R,6S)-tricyclo[4.3.1.01,6]deca-2,4-diene.
What is the SMILES notation for (1R,6S)-tricyclo[4.3.1.01,6]deca-2,4-diene?
The canonical SMILES for (1R,6S)-tricyclo[4.3.1.01,6]deca-2,4-diene is C1=C[C@@]23CCC[C@]2(C=C1)C3.
What is the InChIKey of (1R,6S)-tricyclo[4.3.1.01,6]deca-2,4-diene?
The InChIKey is NBQVIMNMHQYULH-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H12/c1-2-5-10-7-3-6-9(10,4-1)8-10/h1-2,4-5H,3,6-8H2/t9-,10+.
What are the key properties of (1R,6S)-tricyclo[4.3.1.01,6]deca-2,4-diene?
(1R,6S)-tricyclo[4.3.1.01,6]deca-2,4-diene has a molecular weight of 132.21 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-tricyclo[4.3.1.01,6]deca-2,4-diene is sourced from PubChem (CID 637507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).