1,2,4,5-tetracyclopropylcyclopenta-1,3-diene

C17H22 — CID 12028986

IUPAC1,2,4,5-tetracyclopropylcyclopenta-1,3-diene
SMILESC1=C(C2CC2)C(C2CC2)C(C2CC2)=C1C1CC1
InChIInChI=1S/C17H22/c1-2-10(1)14-9-15(11-3-4-11)17(13-7-8-13)16(14)12-5-6-12/h9-13,16H,1-8H2
InChIKeyPPPAVJIYDFJUEL-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.48
Rot. Bonds4

About 1,2,4,5-tetracyclopropylcyclopenta-1,3-diene

1,2,4,5-tetracyclopropylcyclopenta-1,3-diene (PubChem CID 12028986) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1,2,4,5-tetracyclopropylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,4,5-tetracyclopropylcyclopenta-1,3-diene
PubChem CID12028986
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name1,2,4,5-tetracyclopropylcyclopenta-1,3-diene
SMILESC1=C(C2CC2)C(C2CC2)C(C2CC2)=C1C1CC1
InChIInChI=1S/C17H22/c1-2-10(1)14-9-15(11-3-4-11)17(13-7-8-13)16(14)12-5-6-12/h9-13,16H,1-8H2
InChIKeyPPPAVJIYDFJUEL-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,3-dicyclohexyl-3aH-indene
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CID 12649555
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CID 140521718
CID 140869837
CID 140869837
2-cyclopropylcyclopentane-1,3-dione
CID 123552566
3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-2H-cyclopenta[a]chrysen-9-yl acetate
CID 154464470
2-bromo-3-cyclopropyl-1,2-dihydropyrazine
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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetracyclopropylcyclopenta-1,3-diene?
The IUPAC name of 1,2,4,5-tetracyclopropylcyclopenta-1,3-diene (CID 12028986) is 1,2,4,5-tetracyclopropylcyclopenta-1,3-diene.
What is the SMILES notation for 1,2,4,5-tetracyclopropylcyclopenta-1,3-diene?
The canonical SMILES for 1,2,4,5-tetracyclopropylcyclopenta-1,3-diene is C1=C(C2CC2)C(C2CC2)C(C2CC2)=C1C1CC1.
What is the InChIKey of 1,2,4,5-tetracyclopropylcyclopenta-1,3-diene?
The InChIKey is PPPAVJIYDFJUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22/c1-2-10(1)14-9-15(11-3-4-11)17(13-7-8-13)16(14)12-5-6-12/h9-13,16H,1-8H2.
What are the key properties of 1,2,4,5-tetracyclopropylcyclopenta-1,3-diene?
1,2,4,5-tetracyclopropylcyclopenta-1,3-diene has a molecular weight of 226.36 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 1,2,4,5-tetracyclopropylcyclopenta-1,3-diene is sourced from PubChem (CID 12028986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).