2-(3,4-dimethylidenenonyl)-1,3-dimethylidenecyclopentane

C18H28 — CID 172539067

IUPAC2-(3,4-dimethylidenenonyl)-1,3-dimethylidenecyclopentane
SMILESC=C(CCCCC)C(=C)CCC1C(=C)CCC1=C
InChIInChI=1S/C18H28/c1-6-7-8-9-14(2)15(3)12-13-18-16(4)10-11-17(18)5/h18H,2-13H2,1H3
InChIKeyJYLLKLJDODSDTQ-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.98
Rot. Bonds8

About 2-(3,4-dimethylidenenonyl)-1,3-dimethylidenecyclopentane

2-(3,4-dimethylidenenonyl)-1,3-dimethylidenecyclopentane (PubChem CID 172539067) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-(3,4-dimethylidenenonyl)-1,3-dimethylidenecyclopentane.

Molecular Properties

Compound Name2-(3,4-dimethylidenenonyl)-1,3-dimethylidenecyclopentane
PubChem CID172539067
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name2-(3,4-dimethylidenenonyl)-1,3-dimethylidenecyclopentane
SMILESC=C(CCCCC)C(=C)CCC1C(=C)CCC1=C
InChIInChI=1S/C18H28/c1-6-7-8-9-14(2)15(3)12-13-18-16(4)10-11-17(18)5/h18H,2-13H2,1H3
InChIKeyJYLLKLJDODSDTQ-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-2-methylidenepentadecan-1-one
CID 67378956
1-[4-(dimethylamino)cyclohexen-1-yl]-2-methylideneheptan-1-one
CID 118281624
carbonic acid;2-hexyl-3,6-dimethylidenecyclohexane-1,1-diol
CID 70139005
ethane;tetrakis(2-methylidenepentadecanethioic S-acid)
CID 173399640
methane;2-methylidenepentadecanethioic S-acid
CID 174335833
1-(2,3,4,4a,7,8,9,9a-octahydro-1H-benzo[7]annulen-6-yl)-3-methylidenenonane-1,2-dione
CID 91041768
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
1-heptyl-2-methylidenecyclopropane
CID 173435427
11-methylidenetricosan-12-one
CID 146586592
2-nonylcyclopentane-1,3-diol
CID 163304158
3-methylidenenonan-2-one
CID 3017847
2-hept-1-en-2-ylcyclohexan-1-one
CID 11790095

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylidenenonyl)-1,3-dimethylidenecyclopentane?
The IUPAC name of 2-(3,4-dimethylidenenonyl)-1,3-dimethylidenecyclopentane (CID 172539067) is 2-(3,4-dimethylidenenonyl)-1,3-dimethylidenecyclopentane.
What is the SMILES notation for 2-(3,4-dimethylidenenonyl)-1,3-dimethylidenecyclopentane?
The canonical SMILES for 2-(3,4-dimethylidenenonyl)-1,3-dimethylidenecyclopentane is C=C(CCCCC)C(=C)CCC1C(=C)CCC1=C.
What is the InChIKey of 2-(3,4-dimethylidenenonyl)-1,3-dimethylidenecyclopentane?
The InChIKey is JYLLKLJDODSDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-6-7-8-9-14(2)15(3)12-13-18-16(4)10-11-17(18)5/h18H,2-13H2,1H3.
What are the key properties of 2-(3,4-dimethylidenenonyl)-1,3-dimethylidenecyclopentane?
2-(3,4-dimethylidenenonyl)-1,3-dimethylidenecyclopentane has a molecular weight of 244.42 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylidenenonyl)-1,3-dimethylidenecyclopentane is sourced from PubChem (CID 172539067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).