1-methylcycloocta-1,2,4,5,7-pentaene

C9H8 — CID 123730588

IUPAC1-methylcycloocta-1,2,4,5,7-pentaene
SMILESCC1=C=CC=C=CC=C1
InChIInChI=1S/C9H8/c1-9-7-5-3-2-4-6-8-9/h3-7H,1H3
InChIKeyHQSOWTRKVQPIKX-UHFFFAOYSA-N
MW116.16 g/mol
LogP2.37
Rot. Bonds

About 1-methylcycloocta-1,2,4,5,7-pentaene

1-methylcycloocta-1,2,4,5,7-pentaene (PubChem CID 123730588) has the molecular formula C9H8 and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-methylcycloocta-1,2,4,5,7-pentaene.

Molecular Properties

Compound Name1-methylcycloocta-1,2,4,5,7-pentaene
PubChem CID123730588
Molecular FormulaC9H8
Molecular Weight116.16 g/mol
Exact Mass116.06
IUPAC Name1-methylcycloocta-1,2,4,5,7-pentaene
SMILESCC1=C=CC=C=CC=C1
InChIInChI=1S/C9H8/c1-9-7-5-3-2-4-6-8-9/h3-7H,1H3
InChIKeyHQSOWTRKVQPIKX-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethylcyclohepta-1,2,4,6-tetraene
CID 123238184
1-methylcyclohexa-1,2,3,5-tetraene;propane
CID 143027028
cyclododeca-1,2,4,5,7,8,10,11-octaene
CID 101180476
cyclohepta-1,3,4,6-tetraene-1-carbaldehyde
CID 123878232
5-iodocyclohepta-1,2,4,6-tetraene
CID 71417330
ethane;5-methylcyclohepta-1,2,4,6-tetraene;toluene
CID 142426250
cyclohepta-1,2,4,6-tetraene
CID 5488303
2-[(7Z)-6-methylcycloocta-1,2,4,5,7-pentaen-1-yl]isoindole-1,3-dione
CID 143309594
6-(difluoromethylsulfonyl)-1-methylcyclohepta-1,2,4,6-tetraene
CID 123889731
N-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine
CID 143094072
1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene
CID 143593544
cyclohepta-1,3,4,6-tetraen-1-ylmethanol
CID 123806054

Frequently Asked Questions

What is the IUPAC name of 1-methylcycloocta-1,2,4,5,7-pentaene?
The IUPAC name of 1-methylcycloocta-1,2,4,5,7-pentaene (CID 123730588) is 1-methylcycloocta-1,2,4,5,7-pentaene.
What is the SMILES notation for 1-methylcycloocta-1,2,4,5,7-pentaene?
The canonical SMILES for 1-methylcycloocta-1,2,4,5,7-pentaene is CC1=C=CC=C=CC=C1.
What is the InChIKey of 1-methylcycloocta-1,2,4,5,7-pentaene?
The InChIKey is HQSOWTRKVQPIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8/c1-9-7-5-3-2-4-6-8-9/h3-7H,1H3.
What are the key properties of 1-methylcycloocta-1,2,4,5,7-pentaene?
1-methylcycloocta-1,2,4,5,7-pentaene has a molecular weight of 116.16 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcycloocta-1,2,4,5,7-pentaene is sourced from PubChem (CID 123730588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).