3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene

C13H20 — CID 159952981

IUPAC3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene
SMILESCC(C)C1=CC(C2CCCC2)=CC1
InChIInChI=1S/C13H20/c1-10(2)12-7-8-13(9-12)11-5-3-4-6-11/h8-11H,3-7H2,1-2H3
InChIKeyFDSORZKSMNYXDQ-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.09
Rot. Bonds2

About 3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene

3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene (PubChem CID 159952981) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene.

Molecular Properties

Compound Name3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene
PubChem CID159952981
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene
SMILESCC(C)C1=CC(C2CCCC2)=CC1
InChIInChI=1S/C13H20/c1-10(2)12-7-8-13(9-12)11-5-3-4-6-11/h8-11H,3-7H2,1-2H3
InChIKeyFDSORZKSMNYXDQ-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3-cyclopentylcyclopenta-1,3-dien-1-yl)cyclohexane
CID 158976474
(4-propan-2-ylcyclopenta-1,4-dien-1-yl)methylidenevanadium
CID 58283638
[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]cyclohexane
CID 23295273
6-propan-2-yl-1,2,3,7-tetrahydronaphthalene
CID 101316602
1-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-2-methylpropan-1-ol
CID 163611370
4-cyclopentyl-6-propan-2-ylbenzene-1,3-diamine
CID 66660257
(1Z,3Z,5Z)-3,5-dicyclohexyl-2-(methylsulfanylmethyl)cyclododeca-1,3,5-triene
CID 145222882
[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]cyclohexane
CID 10955440
5-fluoro-1-propan-2-ylcycloheptene
CID 170182234
1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene
CID 175032315
5-cyclohexyl-2-methyl-2,3-dihydropyridin-3-amine
CID 57286917
(1Z,3Z,5Z)-3,5-dicyclohexyl-2-(methylsulfanylmethyl)cyclododeca-1,3,5-triene;methanol;methylsulfanylmethane
CID 145222881

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene?
The IUPAC name of 3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene (CID 159952981) is 3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene.
What is the SMILES notation for 3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene?
The canonical SMILES for 3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene is CC(C)C1=CC(C2CCCC2)=CC1.
What is the InChIKey of 3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene?
The InChIKey is FDSORZKSMNYXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-10(2)12-7-8-13(9-12)11-5-3-4-6-11/h8-11H,3-7H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene?
3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene has a molecular weight of 176.30 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-propan-2-ylcyclopenta-1,3-diene is sourced from PubChem (CID 159952981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).