(1R,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-3-ene

C10H14 — CID 98044947

IUPAC(1R,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-3-ene
SMILESC1=C[C@@H]2[C@@H]3CC[C@H](C3)[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-/m1/s1
InChIKeyHANKSFAYJLDDKP-ZYUZMQFOSA-N
MW134.22 g/mol
LogP2.61
Rot. Bonds

About (1R,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-3-ene

(1R,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 98044947) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (1R,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Name(1R,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-3-ene
PubChem CID98044947
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(1R,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-3-ene
SMILESC1=C[C@@H]2[C@@H]3CC[C@H](C3)[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-/m1/s1
InChIKeyHANKSFAYJLDDKP-ZYUZMQFOSA-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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Related Compounds

(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-3-ene
CID 12592098
(1S,2R,6R,7S)-tricyclo[5.2.1.02,6]dec-3-ene
CID 12592101
(1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene
CID 11768627
tricyclo[5.4.1.02,6]dodec-4-en-9-ol
CID 163650056
ethane;tricyclo[5.2.1.02,6]decane;tricyclo[5.2.1.02,6]dec-3-ene;1,7,7-trimethylbicyclo[2.2.1]heptane
CID 158068036
tricyclo[4.3.0.02,4]non-8-ene
CID 154517803
ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-10-ene
CID 91063776
bis(2-methoxyethyl prop-2-enoate);tricyclo[5.2.1.02,6]dec-3-ene
CID 157126575
methanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate
CID 157391279
(1S,6R,8S)-8-cyclopropylbicyclo[4.2.0]oct-2-ene
CID 102232466
N-propan-2-yltricyclo[5.3.1.02,6]undec-3-en-9-amine
CID 70332435
2,4a,4b,7,8,8a,9,9a-octahydro-1H-fluorene
CID 91529219

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of (1R,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-3-ene (CID 98044947) is (1R,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for (1R,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for (1R,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-3-ene is C1=C[C@@H]2[C@@H]3CC[C@H](C3)[C@H]2C1.
What is the InChIKey of (1R,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is HANKSFAYJLDDKP-ZYUZMQFOSA-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-/m1/s1.
What are the key properties of (1R,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-3-ene?
(1R,2S,6R,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 (1R,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 98044947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).