(1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene

C10H14 — CID 11768627

IUPAC(1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene
SMILESC1=CC2C(C1)[C@@H]1CC[C@H]2C1
InChIInChI=1S/C10H14/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,7-10H,3-6H2/t7-,8+,9?,10?/m0/s1
InChIKeyHANKSFAYJLDDKP-AFWXGSBKSA-N
MW134.22 g/mol
LogP2.61
Rot. Bonds

About (1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene

(1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 11768627) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Name(1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene
PubChem CID11768627
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene
SMILESC1=CC2C(C1)[C@@H]1CC[C@H]2C1
InChIInChI=1S/C10H14/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,7-10H,3-6H2/t7-,8+,9?,10?/m0/s1
InChIKeyHANKSFAYJLDDKP-AFWXGSBKSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of (1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene (CID 11768627) is (1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for (1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for (1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene is C1=CC2C(C1)[C@@H]1CC[C@H]2C1.
What is the InChIKey of (1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is HANKSFAYJLDDKP-AFWXGSBKSA-N. The full InChI is InChI=1S/C10H14/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,7-10H,3-6H2/t7-,8+,9?,10?/m0/s1.
What are the key properties of (1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene?
(1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene has a molecular weight of 134.22 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 11768627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).