(1S,8R)-tricyclo[6.2.1.02,7]undeca-2,6-dien-4-yne

C11H10 — CID 11275064

IUPAC(1S,8R)-tricyclo[6.2.1.02,7]undeca-2,6-dien-4-yne
SMILESc1cc2c(cc#1)[C@H]1CC[C@@H]2C1
InChIInChI=1S/C11H10/c1-2-4-11-9-6-5-8(7-9)10(11)3-1/h3-4,8-9H,5-7H2/t8-,9+
InChIKeyDVWAWVAELVFMEO-DTORHVGOSA-N
MW142.20 g/mol
LogP2.65
Rot. Bonds

About (1S,8R)-tricyclo[6.2.1.02,7]undeca-2,6-dien-4-yne

(1S,8R)-tricyclo[6.2.1.02,7]undeca-2,6-dien-4-yne (PubChem CID 11275064) has the molecular formula C11H10 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1S,8R)-tricyclo[6.2.1.02,7]undeca-2,6-dien-4-yne.

Molecular Properties

Compound Name(1S,8R)-tricyclo[6.2.1.02,7]undeca-2,6-dien-4-yne
PubChem CID11275064
Molecular FormulaC11H10
Molecular Weight142.20 g/mol
Exact Mass142.08
IUPAC Name(1S,8R)-tricyclo[6.2.1.02,7]undeca-2,6-dien-4-yne
SMILESc1cc2c(cc#1)[C@H]1CC[C@@H]2C1
InChIInChI=1S/C11H10/c1-2-4-11-9-6-5-8(7-9)10(11)3-1/h3-4,8-9H,5-7H2/t8-,9+
InChIKeyDVWAWVAELVFMEO-DTORHVGOSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 91342553
(1S,8S)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-diamine
CID 129405648
(1S,3R,6S,8R)-tetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene
CID 12649555
(5S,8R)-3-methylpentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-triene
CID 134939192
5-nitroso-3-azoniatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 176696411
4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane
CID 159281045
4-methyl-3-thiatricyclo[5.2.1.02,6]deca-2(6),4-diene
CID 58266991
(1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine
CID 131028254
4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane
CID 144567672
tricyclo[8.2.1.14,7]tetradecane-5,6,11,12-tetrone
CID 139469180
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dione
CID 68535573
(1S,4S)-2,3-dimethylidenebicyclo[2.2.1]heptane
CID 50919081

Frequently Asked Questions

What is the IUPAC name of (1S,8R)-tricyclo[6.2.1.02,7]undeca-2,6-dien-4-yne?
The IUPAC name of (1S,8R)-tricyclo[6.2.1.02,7]undeca-2,6-dien-4-yne (CID 11275064) is (1S,8R)-tricyclo[6.2.1.02,7]undeca-2,6-dien-4-yne.
What is the SMILES notation for (1S,8R)-tricyclo[6.2.1.02,7]undeca-2,6-dien-4-yne?
The canonical SMILES for (1S,8R)-tricyclo[6.2.1.02,7]undeca-2,6-dien-4-yne is c1cc2c(cc#1)[C@H]1CC[C@@H]2C1.
What is the InChIKey of (1S,8R)-tricyclo[6.2.1.02,7]undeca-2,6-dien-4-yne?
The InChIKey is DVWAWVAELVFMEO-DTORHVGOSA-N. The full InChI is InChI=1S/C11H10/c1-2-4-11-9-6-5-8(7-9)10(11)3-1/h3-4,8-9H,5-7H2/t8-,9+.
What are the key properties of (1S,8R)-tricyclo[6.2.1.02,7]undeca-2,6-dien-4-yne?
(1S,8R)-tricyclo[6.2.1.02,7]undeca-2,6-dien-4-yne has a molecular weight of 142.20 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-tricyclo[6.2.1.02,7]undeca-2,6-dien-4-yne is sourced from PubChem (CID 11275064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).