1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene

C21H30 — CID 91363627

IUPAC1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene
SMILESCc1ccccc(CC2CCCCCCCC2)cccc1
InChIInChI=1S/C21H30/c1-19-12-8-10-16-21(17-11-9-13-19)18-20-14-6-4-2-3-5-7-15-20/h8-13,16-17,20H,2-7,14-15,18H2,1H3/b10-8+,11-9+,12-8-,13-9+,16-10+,17-11-,19-12-,19-13-,21-16+,21-17+
InChIKeyZJOGZZBAMHXQJN-GFSDSWGQSA-N
MW282.47 g/mol
LogP6.41
Rot. Bonds2

About 1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene

1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene (PubChem CID 91363627) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene
PubChem CID91363627
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Name1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene
SMILESCc1ccccc(CC2CCCCCCCC2)cccc1
InChIInChI=1S/C21H30/c1-19-12-8-10-16-21(17-11-9-13-19)18-20-14-6-4-2-3-5-7-15-20/h8-13,16-17,20H,2-7,14-15,18H2,1H3/b10-8+,11-9+,12-8-,13-9+,16-10+,17-11-,19-12-,19-13-,21-16+,21-17+
InChIKeyZJOGZZBAMHXQJN-GFSDSWGQSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene 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

1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
butane;cyclopentylmethylbenzene
CID 143522605
1,3-dibenzylcyclooctane
CID 3045388
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669
cyclopentylmethylbenzene;formamide
CID 174870384
[4-(cyclohexylmethyl)phenyl]-fluoro-bis(4-methylphenyl)-λ4-sulfane
CID 139924191
cyclopropylmethylbenzene;ethane;methane
CID 142248267
6-benzylcyclodecan-1-one
CID 22319830
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
1-bromo-4-(cyclohexylmethyl)benzene
CID 54108075
[4-(chloromethyl)phenyl]methylcyclooctane
CID 134250550
1,3,5-tris(cyclohexylmethyl)benzene
CID 157164571

Frequently Asked Questions

What is the IUPAC name of 1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene?
The IUPAC name of 1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene (CID 91363627) is 1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene.
What is the SMILES notation for 1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene?
The canonical SMILES for 1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene is Cc1ccccc(CC2CCCCCCCC2)cccc1.
What is the InChIKey of 1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene?
The InChIKey is ZJOGZZBAMHXQJN-GFSDSWGQSA-N. The full InChI is InChI=1S/C21H30/c1-19-12-8-10-16-21(17-11-9-13-19)18-20-14-6-4-2-3-5-7-15-20/h8-13,16-17,20H,2-7,14-15,18H2,1H3/b10-8+,11-9+,12-8-,13-9+,16-10+,17-11-,19-12-,19-13-,21-16+,21-17+.
What are the key properties of 1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene?
1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene has a molecular weight of 282.47 g/mol, XLogP of 6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 91363627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).