CID 134844623

C21H29- — CID 134844623

IUPAC—
SMILESCC12CCC(c3c1cc1[c-]3C3CCC1(C)C3(C)C)C2(C)C
InChIInChI=1S/C21H29/c1-18(2)12-7-9-20(18,5)14-11-15-17(16(12)14)13-8-10-21(15,6)19(13,3)4/h11-13H,7-10H2,1-6H3/q-1
InChIKeyYQRHTXGCWQNTES-UHFFFAOYSA-N
MW281.46 g/mol
LogP5.76
Rot. Bonds

About CID 134844623

CID 134844623 (PubChem CID 134844623) has the molecular formula C21H29- and a molecular weight of 281.46 g/mol.

Molecular Properties

Compound NameCID 134844623
PubChem CID134844623
Molecular FormulaC21H29-
Molecular Weight281.46 g/mol
Exact Mass281.23
IUPAC Name—
SMILESCC12CCC(c3c1cc1[c-]3C3CCC1(C)C3(C)C)C2(C)C
InChIInChI=1S/C21H29/c1-18(2)12-7-9-20(18,5)14-11-15-17(16(12)14)13-8-10-21(15,6)19(13,3)4/h11-13H,7-10H2,1-6H3/q-1
InChIKeyYQRHTXGCWQNTES-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.46
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3-Dimethyl-2-methylene-1-phenyl-bicyclo[2.2.1]heptane
CID 21675084
Benzyldodecahedrane
CID 13568805
2-Phenyl-3a,4,5,6,7,7a-hexahydro-4,7-methanoindane
CID 13609063
Isobornylbenzene
CID 22992573
Tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7,12-tetraene
CID 161468262
2-Fluoro-7-methylspiro[fluorene-9,11'-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene]
CID 143500528
1-Propyl-4-[(3,4,5-trifluorophenyl)methyl]tricyclo[5.2.1.02,6]decane
CID 154981495
4-[(4-Fluorophenyl)methyl]-11-propylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 154981522
4-[(3,5-Difluorophenyl)methyl]pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 154981573
Tricyclo[5.2.1.0(2,6)]decane, 3-methylene-4-phenyl-
CID 563000
8-Phenyltricyclo[5.2.1.02,6]decane
CID 13205183
Phenylcamphen
CID 129659422

Frequently Asked Questions

What is the IUPAC name of CID 134844623?
The IUPAC name of CID 134844623 (CID 134844623) is not available.
What is the SMILES notation for CID 134844623?
The canonical SMILES for CID 134844623 is CC12CCC(c3c1cc1[c-]3C3CCC1(C)C3(C)C)C2(C)C.
What is the InChIKey of CID 134844623?
The InChIKey is YQRHTXGCWQNTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29/c1-18(2)12-7-9-20(18,5)14-11-15-17(16(12)14)13-8-10-21(15,6)19(13,3)4/h11-13H,7-10H2,1-6H3/q-1.
What are the key properties of CID 134844623?
CID 134844623 has a molecular weight of 281.46 g/mol, XLogP of 5.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134844623 is sourced from PubChem (CID 134844623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).