1,2,4-tri(propan-2-yl)cyclopentene

C14H26 — CID 20780367

IUPAC1,2,4-tri(propan-2-yl)cyclopentene
SMILESCC(C)C1=C(C(C)C)CC(C(C)C)C1
InChIInChI=1S/C14H26/c1-9(2)12-7-13(10(3)4)14(8-12)11(5)6/h9-12H,7-8H2,1-6H3
InChIKeyRMFZMKJNRMVGAI-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.66
Rot. Bonds3

About 1,2,4-tri(propan-2-yl)cyclopentene

1,2,4-tri(propan-2-yl)cyclopentene (PubChem CID 20780367) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1,2,4-tri(propan-2-yl)cyclopentene.

Molecular Properties

Compound Name1,2,4-tri(propan-2-yl)cyclopentene
PubChem CID20780367
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1,2,4-tri(propan-2-yl)cyclopentene
SMILESCC(C)C1=C(C(C)C)CC(C(C)C)C1
InChIInChI=1S/C14H26/c1-9(2)12-7-13(10(3)4)14(8-12)11(5)6/h9-12H,7-8H2,1-6H3
InChIKeyRMFZMKJNRMVGAI-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,4-tri(propan-2-yl)cyclohexene
CID 177269639
2,3,5-tri(propan-2-yl)cyclohex-2-en-1-one
CID 171770113
4-methyl-1,2-di(propan-2-yl)cyclopentene
CID 140883778
2-methyl-4,5-di(propan-2-yl)-1,2,3,6-tetrahydropyridine
CID 170030905
propan-2-ylcyclopropane;hydroiodide
CID 162314014
3-methylidene-5-propan-2-ylcyclohexene
CID 149039202
1-(2-hydroxy-4-propan-2-ylcyclopenten-1-yl)ethanone
CID 140897721
2-ethyl-4-propan-2-ylcyclopentan-1-one
CID 154713281
(3S)-3-propan-2-ylcyclopentan-1-one
CID 10855459
4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane
CID 156686010
2-propanoyl-5-propan-2-ylcyclohexane-1,3-dione
CID 52950248
4-propan-2-yloxolan-2-one
CID 10997052

Frequently Asked Questions

What is the IUPAC name of 1,2,4-tri(propan-2-yl)cyclopentene?
The IUPAC name of 1,2,4-tri(propan-2-yl)cyclopentene (CID 20780367) is 1,2,4-tri(propan-2-yl)cyclopentene.
What is the SMILES notation for 1,2,4-tri(propan-2-yl)cyclopentene?
The canonical SMILES for 1,2,4-tri(propan-2-yl)cyclopentene is CC(C)C1=C(C(C)C)CC(C(C)C)C1.
What is the InChIKey of 1,2,4-tri(propan-2-yl)cyclopentene?
The InChIKey is RMFZMKJNRMVGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-9(2)12-7-13(10(3)4)14(8-12)11(5)6/h9-12H,7-8H2,1-6H3.
What are the key properties of 1,2,4-tri(propan-2-yl)cyclopentene?
1,2,4-tri(propan-2-yl)cyclopentene has a molecular weight of 194.36 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tri(propan-2-yl)cyclopentene is sourced from PubChem (CID 20780367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).