1-butyl-5-cyclopentylcyclopenta-1,3-diene

C14H22 — CID 159612509

IUPAC1-butyl-5-cyclopentylcyclopenta-1,3-diene
SMILESCCCCC1=CC=CC1C1CCCC1
InChIInChI=1S/C14H22/c1-2-3-7-12-10-6-11-14(12)13-8-4-5-9-13/h6,10-11,13-14H,2-5,7-9H2,1H3
InChIKeyXYUYATQRTDIEAV-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.48
Rot. Bonds4

About 1-butyl-5-cyclopentylcyclopenta-1,3-diene

1-butyl-5-cyclopentylcyclopenta-1,3-diene (PubChem CID 159612509) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-butyl-5-cyclopentylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-butyl-5-cyclopentylcyclopenta-1,3-diene
PubChem CID159612509
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-butyl-5-cyclopentylcyclopenta-1,3-diene
SMILESCCCCC1=CC=CC1C1CCCC1
InChIInChI=1S/C14H22/c1-2-3-7-12-10-6-11-14(12)13-8-4-5-9-13/h6,10-11,13-14H,2-5,7-9H2,1H3
InChIKeyXYUYATQRTDIEAV-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-butylcyclopenta-2,4-dien-1-yl)silane
CID 150574947
1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium
CID 174488581
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683
1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium
CID 174628569
(2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane
CID 139699569
1,5-dioctylcyclopenta-1,3-diene
CID 173106521
5-butylcyclohexa-2,4-dien-1-amine
CID 146424387
(2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane
CID 173383564
[(3R)-2-benzyl-4-butyl-3-cyclohexyl-3H-pyrazol-1-yl]-phenylmethanone
CID 102499442
3-butyl-2-hexyl-1,2-dihydropyridine
CID 174837451
tributoxy-(2-propylcyclopenta-2,4-dien-1-yl)silane
CID 70424528
cyclohexane-1,2-diol;ethane;propane
CID 143149782

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-cyclopentylcyclopenta-1,3-diene?
The IUPAC name of 1-butyl-5-cyclopentylcyclopenta-1,3-diene (CID 159612509) is 1-butyl-5-cyclopentylcyclopenta-1,3-diene.
What is the SMILES notation for 1-butyl-5-cyclopentylcyclopenta-1,3-diene?
The canonical SMILES for 1-butyl-5-cyclopentylcyclopenta-1,3-diene is CCCCC1=CC=CC1C1CCCC1.
What is the InChIKey of 1-butyl-5-cyclopentylcyclopenta-1,3-diene?
The InChIKey is XYUYATQRTDIEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-2-3-7-12-10-6-11-14(12)13-8-4-5-9-13/h6,10-11,13-14H,2-5,7-9H2,1H3.
What are the key properties of 1-butyl-5-cyclopentylcyclopenta-1,3-diene?
1-butyl-5-cyclopentylcyclopenta-1,3-diene has a molecular weight of 190.33 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-cyclopentylcyclopenta-1,3-diene is sourced from PubChem (CID 159612509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).