(1R,2S,3S,6R)-tetracyclo[4.4.0.01,3.02,6]dec-8-ene

C10H12 — CID 98633977

IUPAC(1R,2S,3S,6R)-tetracyclo[4.4.0.01,3.02,6]dec-8-ene
SMILESC1=CC[C@]23[C@H]4CC[C@@]2(C1)[C@H]43
InChIInChI=1S/C10H12/c1-2-5-10-7-3-6-9(10,4-1)8(7)10/h1-2,7-8H,3-6H2/t7-,8-,9-,10+/m0/s1
InChIKeyOZISRXYVNRXOQQ-AATLWQCWSA-N
MW132.21 g/mol
LogP2.36
Rot. Bonds

About (1R,2S,3S,6R)-tetracyclo[4.4.0.01,3.02,6]dec-8-ene

(1R,2S,3S,6R)-tetracyclo[4.4.0.01,3.02,6]dec-8-ene (PubChem CID 98633977) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is (1R,2S,3S,6R)-tetracyclo[4.4.0.01,3.02,6]dec-8-ene.

Molecular Properties

Compound Name(1R,2S,3S,6R)-tetracyclo[4.4.0.01,3.02,6]dec-8-ene
PubChem CID98633977
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name(1R,2S,3S,6R)-tetracyclo[4.4.0.01,3.02,6]dec-8-ene
SMILESC1=CC[C@]23[C@H]4CC[C@@]2(C1)[C@H]43
InChIInChI=1S/C10H12/c1-2-5-10-7-3-6-9(10,4-1)8(7)10/h1-2,7-8H,3-6H2/t7-,8-,9-,10+/m0/s1
InChIKeyOZISRXYVNRXOQQ-AATLWQCWSA-N
XLogP2.36
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 ≤ 52.36
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

pentacyclo[5.3.1.12,5.01,8.02,6]dodecane
CID 123567750
tricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid
CID 11074200
spiro[2.4]hept-5-ene
CID 57429034
10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol
CID 71380044
tricyclo[3.2.1.01,4]octane
CID 90707927
(5S,8R,9S,10S,13S,14S)-17-bromo-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene
CID 15341697
spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,5'-cyclopenta-1,3-diene]
CID 59741943
(1R,4aS,8aR)-4,5,6,7,8,8a-hexahydro-1H-naphthalene-1,4a-diol
CID 130918425
tricyclo[4.3.3.01,6]dodec-3-ene
CID 14114531
(5S,10S,13R)-10,13,17-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 54300933
15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadec-4-ene-14,16-dione
CID 90482513
(1R,2R,7S,10R,11S,12R)-15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadec-4-ene-14,16-dione
CID 98556619

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,6R)-tetracyclo[4.4.0.01,3.02,6]dec-8-ene?
The IUPAC name of (1R,2S,3S,6R)-tetracyclo[4.4.0.01,3.02,6]dec-8-ene (CID 98633977) is (1R,2S,3S,6R)-tetracyclo[4.4.0.01,3.02,6]dec-8-ene.
What is the SMILES notation for (1R,2S,3S,6R)-tetracyclo[4.4.0.01,3.02,6]dec-8-ene?
The canonical SMILES for (1R,2S,3S,6R)-tetracyclo[4.4.0.01,3.02,6]dec-8-ene is C1=CC[C@]23[C@H]4CC[C@@]2(C1)[C@H]43.
What is the InChIKey of (1R,2S,3S,6R)-tetracyclo[4.4.0.01,3.02,6]dec-8-ene?
The InChIKey is OZISRXYVNRXOQQ-AATLWQCWSA-N. The full InChI is InChI=1S/C10H12/c1-2-5-10-7-3-6-9(10,4-1)8(7)10/h1-2,7-8H,3-6H2/t7-,8-,9-,10+/m0/s1.
What are the key properties of (1R,2S,3S,6R)-tetracyclo[4.4.0.01,3.02,6]dec-8-ene?
(1R,2S,3S,6R)-tetracyclo[4.4.0.01,3.02,6]dec-8-ene has a molecular weight of 132.21 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,6R)-tetracyclo[4.4.0.01,3.02,6]dec-8-ene is sourced from PubChem (CID 98633977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).