(1R,8R)-1,8-dimethyl-9-(2-phenylethynyl)bicyclo[6.2.0]dec-9-ene

C20H24 — CID 138981886

IUPAC(1R,8R)-1,8-dimethyl-9-(2-phenylethynyl)bicyclo[6.2.0]dec-9-ene
SMILESC[C@@]12C=C(C#Cc3ccccc3)[C@]1(C)CCCCCC2
InChIInChI=1S/C20H24/c1-19-14-8-3-4-9-15-20(19,2)18(16-19)13-12-17-10-6-5-7-11-17/h5-7,10-11,16H,3-4,8-9,14-15H2,1-2H3/t19-,20+/m1/s1
InChIKeyAITUFTXBTXMNTK-UXHICEINSA-N
MW264.41 g/mol
LogP5.34
Rot. Bonds

About (1R,8R)-1,8-dimethyl-9-(2-phenylethynyl)bicyclo[6.2.0]dec-9-ene

(1R,8R)-1,8-dimethyl-9-(2-phenylethynyl)bicyclo[6.2.0]dec-9-ene (PubChem CID 138981886) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is (1R,8R)-1,8-dimethyl-9-(2-phenylethynyl)bicyclo[6.2.0]dec-9-ene.

Molecular Properties

Compound Name(1R,8R)-1,8-dimethyl-9-(2-phenylethynyl)bicyclo[6.2.0]dec-9-ene
PubChem CID138981886
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name(1R,8R)-1,8-dimethyl-9-(2-phenylethynyl)bicyclo[6.2.0]dec-9-ene
SMILESC[C@@]12C=C(C#Cc3ccccc3)[C@]1(C)CCCCCC2
InChIInChI=1S/C20H24/c1-19-14-8-3-4-9-15-20(19,2)18(16-19)13-12-17-10-6-5-7-11-17/h5-7,10-11,16H,3-4,8-9,14-15H2,1-2H3/t19-,20+/m1/s1
InChIKeyAITUFTXBTXMNTK-UXHICEINSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 7366
CID 7366
CID 7390
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CID 31237
CID 31237
CID 13895
CID 13895
CID 16295
CID 16295
CID 15627
CID 15627
CID 23194
CID 23194
CID 80715
CID 80715
CID 7716
CID 7716
CID 74681
CID 74681
CID 15089
CID 15089
CID 136810
CID 136810

Frequently Asked Questions

What is the IUPAC name of (1R,8R)-1,8-dimethyl-9-(2-phenylethynyl)bicyclo[6.2.0]dec-9-ene?
The IUPAC name of (1R,8R)-1,8-dimethyl-9-(2-phenylethynyl)bicyclo[6.2.0]dec-9-ene (CID 138981886) is (1R,8R)-1,8-dimethyl-9-(2-phenylethynyl)bicyclo[6.2.0]dec-9-ene.
What is the SMILES notation for (1R,8R)-1,8-dimethyl-9-(2-phenylethynyl)bicyclo[6.2.0]dec-9-ene?
The canonical SMILES for (1R,8R)-1,8-dimethyl-9-(2-phenylethynyl)bicyclo[6.2.0]dec-9-ene is C[C@@]12C=C(C#Cc3ccccc3)[C@]1(C)CCCCCC2.
What is the InChIKey of (1R,8R)-1,8-dimethyl-9-(2-phenylethynyl)bicyclo[6.2.0]dec-9-ene?
The InChIKey is AITUFTXBTXMNTK-UXHICEINSA-N. The full InChI is InChI=1S/C20H24/c1-19-14-8-3-4-9-15-20(19,2)18(16-19)13-12-17-10-6-5-7-11-17/h5-7,10-11,16H,3-4,8-9,14-15H2,1-2H3/t19-,20+/m1/s1.
What are the key properties of (1R,8R)-1,8-dimethyl-9-(2-phenylethynyl)bicyclo[6.2.0]dec-9-ene?
(1R,8R)-1,8-dimethyl-9-(2-phenylethynyl)bicyclo[6.2.0]dec-9-ene has a molecular weight of 264.41 g/mol, XLogP of 5.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-1,8-dimethyl-9-(2-phenylethynyl)bicyclo[6.2.0]dec-9-ene is sourced from PubChem (CID 138981886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).