(1S,2R,7S,8R)-tricyclo[6.5.0.02,7]tridec-3-ene

C13H20 — CID 57381599

IUPAC(1S,2R,7S,8R)-tricyclo[6.5.0.02,7]tridec-3-ene
SMILESC1=C[C@H]2[C@@H](CC1)[C@@H]1CCCCC[C@H]21
InChIInChI=1S/C13H20/c1-2-6-10-11(7-3-1)13-9-5-4-8-12(10)13/h4,8,10-13H,1-3,5-7,9H2/t10-,11+,12+,13-/m0/s1
InChIKeyCVUUDXGOMBTJLJ-LOWDOPEQSA-N
MW176.30 g/mol
LogP3.78
Rot. Bonds

About (1S,2R,7S,8R)-tricyclo[6.5.0.02,7]tridec-3-ene

(1S,2R,7S,8R)-tricyclo[6.5.0.02,7]tridec-3-ene (PubChem CID 57381599) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (1S,2R,7S,8R)-tricyclo[6.5.0.02,7]tridec-3-ene.

Molecular Properties

Compound Name(1S,2R,7S,8R)-tricyclo[6.5.0.02,7]tridec-3-ene
PubChem CID57381599
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(1S,2R,7S,8R)-tricyclo[6.5.0.02,7]tridec-3-ene
SMILESC1=C[C@H]2[C@@H](CC1)[C@@H]1CCCCC[C@H]21
InChIInChI=1S/C13H20/c1-2-6-10-11(7-3-1)13-9-5-4-8-12(10)13/h4,8,10-13H,1-3,5-7,9H2/t10-,11+,12+,13-/m0/s1
InChIKeyCVUUDXGOMBTJLJ-LOWDOPEQSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.78
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

tricyclo[5.4.0.02,8]undec-9-ene
CID 14143162
(1R,6S,7R)-7-bromobicyclo[4.1.0]hept-2-ene
CID 131115214
7,8-dimethylbicyclo[4.2.0]oct-2-ene
CID 58852239
1,2,3,4,4a,4b,5,6,6a,9,10,10a,10b,11,12,12a-hexadecahydrochrysene
CID 22256271
(3Z)-tricyclo[8.2.1.02,9]trideca-3,11-diene
CID 22138459
(1R,2S,7R,8S)-tricyclo[6.2.2.02,7]dodeca-3,9-diene
CID 98523968
tricyclo[5.5.0.02,6]dodecane
CID 578151
tricyclo[5.4.0.08,11]undecane
CID 176586412
1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene
CID 23572815
tetracyclo[6.4.0.02,4.04,7]dodeca-5,9-diene
CID 142046940
1-(1,2,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-9-yl)-6-(3-bicyclo[4.4.1]undecanyl)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene
CID 143673221
(1R,8S,9R)-bicyclo[6.1.0]non-2-ene-9-carbonyl chloride
CID 98072331

Frequently Asked Questions

What is the IUPAC name of (1S,2R,7S,8R)-tricyclo[6.5.0.02,7]tridec-3-ene?
The IUPAC name of (1S,2R,7S,8R)-tricyclo[6.5.0.02,7]tridec-3-ene (CID 57381599) is (1S,2R,7S,8R)-tricyclo[6.5.0.02,7]tridec-3-ene.
What is the SMILES notation for (1S,2R,7S,8R)-tricyclo[6.5.0.02,7]tridec-3-ene?
The canonical SMILES for (1S,2R,7S,8R)-tricyclo[6.5.0.02,7]tridec-3-ene is C1=C[C@H]2[C@@H](CC1)[C@@H]1CCCCC[C@H]21.
What is the InChIKey of (1S,2R,7S,8R)-tricyclo[6.5.0.02,7]tridec-3-ene?
The InChIKey is CVUUDXGOMBTJLJ-LOWDOPEQSA-N. The full InChI is InChI=1S/C13H20/c1-2-6-10-11(7-3-1)13-9-5-4-8-12(10)13/h4,8,10-13H,1-3,5-7,9H2/t10-,11+,12+,13-/m0/s1.
What are the key properties of (1S,2R,7S,8R)-tricyclo[6.5.0.02,7]tridec-3-ene?
(1S,2R,7S,8R)-tricyclo[6.5.0.02,7]tridec-3-ene has a molecular weight of 176.30 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7S,8R)-tricyclo[6.5.0.02,7]tridec-3-ene is sourced from PubChem (CID 57381599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).