5-(4-cyclopenta-2,4-dien-1-ylbutan-2-yl)cyclopenta-1,3-diene

C14H18 — CID 12685415

IUPAC5-(4-cyclopenta-2,4-dien-1-ylbutan-2-yl)cyclopenta-1,3-diene
SMILESCC(CCC1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C14H18/c1-12(14-8-4-5-9-14)10-11-13-6-2-3-7-13/h2-9,12-14H,10-11H2,1H3
InChIKeyVWZLPAWKVQPMEQ-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.89
Rot. Bonds4

About 5-(4-cyclopenta-2,4-dien-1-ylbutan-2-yl)cyclopenta-1,3-diene

5-(4-cyclopenta-2,4-dien-1-ylbutan-2-yl)cyclopenta-1,3-diene (PubChem CID 12685415) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 5-(4-cyclopenta-2,4-dien-1-ylbutan-2-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(4-cyclopenta-2,4-dien-1-ylbutan-2-yl)cyclopenta-1,3-diene
PubChem CID12685415
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name5-(4-cyclopenta-2,4-dien-1-ylbutan-2-yl)cyclopenta-1,3-diene
SMILESCC(CCC1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C14H18/c1-12(14-8-4-5-9-14)10-11-13-6-2-3-7-13/h2-9,12-14H,10-11H2,1H3
InChIKeyVWZLPAWKVQPMEQ-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(4-methylpentyl)cyclopenta-1,3-diene
CID 157130017
2,4-di(cyclopenta-2,4-dien-1-yl)-N,N-di(propan-2-yl)butan-1-amine
CID 101371214
2-cyclopenta-2,4-dien-1-ylethyl-di(propan-2-yl)phosphane
CID 11986560
(3S)-1,3-di(cyclopenta-2,4-dien-1-yl)butan-1-one
CID 15436813
N-(2-cyclopenta-2,4-dien-1-ylethyl)propan-2-amine
CID 15775951
2-cyclopenta-2,4-dien-1-ylpropyl-bis(trimethylsilyloxy)phosphane
CID 12034304
5-(3,3-dimethylbutyl)cyclopenta-1,3-diene
CID 140816733
2-cyclopenta-2,4-dien-1-ylethanamine
CID 533898
dichloro-(3-cyclopenta-2,4-dien-1-ylpropyl)-methylsilane
CID 123407802
5-(5-cyclopenta-2,4-dien-1-yl-2,4-dimethylpentyl)cyclopenta-1,3-diene;nickel
CID 174412301
5-undecylcyclopenta-1,3-diene
CID 141280590
5-ethylcyclopenta-1,3-diene;hafnium
CID 174248869

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopenta-2,4-dien-1-ylbutan-2-yl)cyclopenta-1,3-diene?
The IUPAC name of 5-(4-cyclopenta-2,4-dien-1-ylbutan-2-yl)cyclopenta-1,3-diene (CID 12685415) is 5-(4-cyclopenta-2,4-dien-1-ylbutan-2-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(4-cyclopenta-2,4-dien-1-ylbutan-2-yl)cyclopenta-1,3-diene?
The canonical SMILES for 5-(4-cyclopenta-2,4-dien-1-ylbutan-2-yl)cyclopenta-1,3-diene is CC(CCC1C=CC=C1)C1C=CC=C1.
What is the InChIKey of 5-(4-cyclopenta-2,4-dien-1-ylbutan-2-yl)cyclopenta-1,3-diene?
The InChIKey is VWZLPAWKVQPMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-12(14-8-4-5-9-14)10-11-13-6-2-3-7-13/h2-9,12-14H,10-11H2,1H3.
What are the key properties of 5-(4-cyclopenta-2,4-dien-1-ylbutan-2-yl)cyclopenta-1,3-diene?
5-(4-cyclopenta-2,4-dien-1-ylbutan-2-yl)cyclopenta-1,3-diene has a molecular weight of 186.30 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopenta-2,4-dien-1-ylbutan-2-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 12685415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).