2-(2-methylheptyl)cyclopenta-1,3-diene

C13H22 — CID 175053083

IUPAC2-(2-methylheptyl)cyclopenta-1,3-diene
SMILESCCCCCC(C)CC1=CCC=C1
InChIInChI=1S/C13H22/c1-3-4-5-8-12(2)11-13-9-6-7-10-13/h6,9-10,12H,3-5,7-8,11H2,1-2H3
InChIKeyZLJARSAQJGYXLG-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.48
Rot. Bonds6

About 2-(2-methylheptyl)cyclopenta-1,3-diene

2-(2-methylheptyl)cyclopenta-1,3-diene (PubChem CID 175053083) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 2-(2-methylheptyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-(2-methylheptyl)cyclopenta-1,3-diene
PubChem CID175053083
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name2-(2-methylheptyl)cyclopenta-1,3-diene
SMILESCCCCCC(C)CC1=CCC=C1
InChIInChI=1S/C13H22/c1-3-4-5-8-12(2)11-13-9-6-7-10-13/h6,9-10,12H,3-5,7-8,11H2,1-2H3
InChIKeyZLJARSAQJGYXLG-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-heptadecylcyclopenta-1,3-diene
CID 91156945
1-(2-methylheptyl)cyclopropene
CID 22621699
2-(3-cyclopenta-1,4-dien-1-yl-2-methylpropyl)-1,1-dimethylhydrazine
CID 156544278
[(E)-1-cyclopenta-1,4-dien-1-ylnon-2-en-4-yl]-trimethylsilane
CID 10706645
1-(cyclopenta-1,4-dien-1-ylmethyl)-2-pentylbenzene
CID 173364149
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392
15-methylhentriacontane
CID 6430031
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylheptyl)cyclopenta-1,3-diene?
The IUPAC name of 2-(2-methylheptyl)cyclopenta-1,3-diene (CID 175053083) is 2-(2-methylheptyl)cyclopenta-1,3-diene.
What is the SMILES notation for 2-(2-methylheptyl)cyclopenta-1,3-diene?
The canonical SMILES for 2-(2-methylheptyl)cyclopenta-1,3-diene is CCCCCC(C)CC1=CCC=C1.
What is the InChIKey of 2-(2-methylheptyl)cyclopenta-1,3-diene?
The InChIKey is ZLJARSAQJGYXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-3-4-5-8-12(2)11-13-9-6-7-10-13/h6,9-10,12H,3-5,7-8,11H2,1-2H3.
What are the key properties of 2-(2-methylheptyl)cyclopenta-1,3-diene?
2-(2-methylheptyl)cyclopenta-1,3-diene has a molecular weight of 178.32 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylheptyl)cyclopenta-1,3-diene is sourced from PubChem (CID 175053083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).