(1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene

C10H12 — CID 98111802

IUPAC(1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC1=C[C@@H]2[C@@H](C1)[C@@H]1C=C[C@@H]2C1
InChIInChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2/t7-,8-,9+,10+/m1/s1
InChIKeyHECLRDQVFMWTQS-IMSYWVGJSA-N
MW132.21 g/mol
LogP2.38
Rot. Bonds

About (1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene

(1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 98111802) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is (1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name(1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID98111802
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name(1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC1=C[C@@H]2[C@@H](C1)[C@@H]1C=C[C@@H]2C1
InChIInChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2/t7-,8-,9+,10+/m1/s1
InChIKeyHECLRDQVFMWTQS-IMSYWVGJSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,6R,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene
CID 45356248
tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium
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platinum(2+);tricyclo[5.2.1.02,6]deca-3,8-diene;dibromide
CID 23454665
formaldehyde;tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium
CID 173371153
1,1'-biphenyl;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 173347258
nickel;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 88698888
4,5-dihydro-1,3-thiazole;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 174828034
2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 23124038
methanol;2-(oxiran-2-ylmethoxymethyl)oxirane;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 118535993
(1S,3R,6S)-pentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-4,10-diene
CID 169451262
(3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene
CID 22138459
prop-1-en-2-ylbenzene;styrene;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 6453309

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of (1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene (CID 98111802) is (1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for (1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for (1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene is C1=C[C@@H]2[C@@H](C1)[C@@H]1C=C[C@@H]2C1.
What is the InChIKey of (1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is HECLRDQVFMWTQS-IMSYWVGJSA-N. The full InChI is InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2/t7-,8-,9+,10+/m1/s1.
What are the key properties of (1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene?
(1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 132.21 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 98111802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).