2-(6-tetracyclo[7.2.1.02,4.02,8]dodec-10-enyl)acetic acid

C14H18O2 — CID 139988414

IUPAC2-(6-tetracyclo[7.2.1.02,4.02,8]dodec-10-enyl)acetic acid
SMILESO=C(O)CC1CC2CC23C2C=CC(C2)C3C1
InChIInChI=1S/C14H18O2/c15-13(16)5-8-3-11-7-14(11)10-2-1-9(6-10)12(14)4-8/h1-2,8-12H,3-7H2,(H,15,16)
InChIKeyYNLQIUAMKTZYCN-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.70
Rot. Bonds2

About 2-(6-tetracyclo[7.2.1.02,4.02,8]dodec-10-enyl)acetic acid

2-(6-tetracyclo[7.2.1.02,4.02,8]dodec-10-enyl)acetic acid (PubChem CID 139988414) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(6-tetracyclo[7.2.1.02,4.02,8]dodec-10-enyl)acetic acid.

Molecular Properties

Compound Name2-(6-tetracyclo[7.2.1.02,4.02,8]dodec-10-enyl)acetic acid
PubChem CID139988414
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-(6-tetracyclo[7.2.1.02,4.02,8]dodec-10-enyl)acetic acid
SMILESO=C(O)CC1CC2CC23C2C=CC(C2)C3C1
InChIInChI=1S/C14H18O2/c15-13(16)5-8-3-11-7-14(11)10-2-1-9(6-10)12(14)4-8/h1-2,8-12H,3-7H2,(H,15,16)
InChIKeyYNLQIUAMKTZYCN-UHFFFAOYSA-N
XLogP2.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(6-tetracyclo[7.2.1.02,4.02,8]dodec-10-enyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid
CID 157031019
2-[1-(aminomethyl)-3-bicyclo[3.2.0]heptanyl]acetic acid
CID 151136662
2-[(1S,5S)-3,3,5-trimethylcyclohexyl]acetic acid
CID 40579133
tricyclo[5.2.1.02,6]deca-3,8-diene-2-carboxylic acid
CID 90074838
2-(3,3,4,4-tetramethylcyclopentyl)acetic acid
CID 135389559
CID 144774623
CID 144774623
2-(2,2-difluorospiro[3.3]heptan-6-yl)acetic acid
CID 167721189
2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid
CID 102120201
2-[3-(hydroxymethyl)cyclopentyl]acetic acid
CID 105430907
2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68683333
2-[(3S)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68682784
2-[(1S,2S,6R,7S)-2-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetic acid
CID 6360147

Frequently Asked Questions

What is the IUPAC name of 2-(6-tetracyclo[7.2.1.02,4.02,8]dodec-10-enyl)acetic acid?
The IUPAC name of 2-(6-tetracyclo[7.2.1.02,4.02,8]dodec-10-enyl)acetic acid (CID 139988414) is 2-(6-tetracyclo[7.2.1.02,4.02,8]dodec-10-enyl)acetic acid.
What is the SMILES notation for 2-(6-tetracyclo[7.2.1.02,4.02,8]dodec-10-enyl)acetic acid?
The canonical SMILES for 2-(6-tetracyclo[7.2.1.02,4.02,8]dodec-10-enyl)acetic acid is O=C(O)CC1CC2CC23C2C=CC(C2)C3C1.
What is the InChIKey of 2-(6-tetracyclo[7.2.1.02,4.02,8]dodec-10-enyl)acetic acid?
The InChIKey is YNLQIUAMKTZYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-13(16)5-8-3-11-7-14(11)10-2-1-9(6-10)12(14)4-8/h1-2,8-12H,3-7H2,(H,15,16).
What are the key properties of 2-(6-tetracyclo[7.2.1.02,4.02,8]dodec-10-enyl)acetic acid?
2-(6-tetracyclo[7.2.1.02,4.02,8]dodec-10-enyl)acetic acid has a molecular weight of 218.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tetracyclo[7.2.1.02,4.02,8]dodec-10-enyl)acetic acid is sourced from PubChem (CID 139988414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).