2,12-dimethylcycloicosa-1,3,5,8,10,13,15-heptaene

C22H30 — CID 162298979

IUPAC2,12-dimethylcycloicosa-1,3,5,8,10,13,15-heptaene
SMILESCC1=CCCCCC=CC=CC(C)C=CC=CCC=CC=C1
InChIInChI=1S/C22H30/c1-21-17-13-9-5-3-7-11-15-19-22(2)20-16-12-8-4-6-10-14-18-21/h5-7,9-11,13-15,17-21H,3-4,8,12,16H2,1-2H3
InChIKeyAGKVDUIDHZLTSS-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.87
Rot. Bonds

About 2,12-dimethylcycloicosa-1,3,5,8,10,13,15-heptaene

2,12-dimethylcycloicosa-1,3,5,8,10,13,15-heptaene (PubChem CID 162298979) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 2,12-dimethylcycloicosa-1,3,5,8,10,13,15-heptaene.

Molecular Properties

Compound Name2,12-dimethylcycloicosa-1,3,5,8,10,13,15-heptaene
PubChem CID162298979
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name2,12-dimethylcycloicosa-1,3,5,8,10,13,15-heptaene
SMILESCC1=CCCCCC=CC=CC(C)C=CC=CCC=CC=C1
InChIInChI=1S/C22H30/c1-21-17-13-9-5-3-7-11-15-19-22(2)20-16-12-8-4-6-10-14-18-21/h5-7,9-11,13-15,17-21H,3-4,8,12,16H2,1-2H3
InChIKeyAGKVDUIDHZLTSS-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1Z,6E,8Z)-cyclotrideca-1,3,6,8-tetraene
CID 173030908
ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene
CID 143054449
cyclopenta-1,3-diene;3-methylcyclopropene
CID 21266720
(1Z,3E,8Z)-cyclotetradeca-1,3,6,8-tetraene
CID 173030954
2-methylcycloundeca-1,3,7-triene
CID 123392586
(1E)-1,5,10-trimethylcyclododeca-1,3,5-triene
CID 173082678
(1E,3Z,8E)-cyclotrideca-1,3,5,8-tetraene
CID 173030570
cobalt;cyclopentane;5-methylcyclopenta-1,3-diene
CID 172773406
(2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one
CID 101475135
bis(cyclopenta-1,3-diene);platinum(2+);dichloride
CID 173110163
(1E,3E)-cycloocta-1,3-diene
CID 6330372
(1E,8E)-cyclotetradeca-1,3,5,8-tetraene
CID 173030442

Frequently Asked Questions

What is the IUPAC name of 2,12-dimethylcycloicosa-1,3,5,8,10,13,15-heptaene?
The IUPAC name of 2,12-dimethylcycloicosa-1,3,5,8,10,13,15-heptaene (CID 162298979) is 2,12-dimethylcycloicosa-1,3,5,8,10,13,15-heptaene.
What is the SMILES notation for 2,12-dimethylcycloicosa-1,3,5,8,10,13,15-heptaene?
The canonical SMILES for 2,12-dimethylcycloicosa-1,3,5,8,10,13,15-heptaene is CC1=CCCCCC=CC=CC(C)C=CC=CCC=CC=C1.
What is the InChIKey of 2,12-dimethylcycloicosa-1,3,5,8,10,13,15-heptaene?
The InChIKey is AGKVDUIDHZLTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-21-17-13-9-5-3-7-11-15-19-22(2)20-16-12-8-4-6-10-14-18-21/h5-7,9-11,13-15,17-21H,3-4,8,12,16H2,1-2H3.
What are the key properties of 2,12-dimethylcycloicosa-1,3,5,8,10,13,15-heptaene?
2,12-dimethylcycloicosa-1,3,5,8,10,13,15-heptaene has a molecular weight of 294.48 g/mol, XLogP of 6.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,12-dimethylcycloicosa-1,3,5,8,10,13,15-heptaene is sourced from PubChem (CID 162298979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).