1,2,3,5,5-penta(propan-2-yl)cyclopenta-1,3-diene

C20H36 — CID 90990856

IUPAC1,2,3,5,5-penta(propan-2-yl)cyclopenta-1,3-diene
SMILESCC(C)C1=CC(C(C)C)(C(C)C)C(C(C)C)=C1C(C)C
InChIInChI=1S/C20H36/c1-12(2)17-11-20(15(7)8,16(9)10)19(14(5)6)18(17)13(3)4/h11-16H,1-10H3
InChIKeyDMEOUKACTSLAGV-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.49
Rot. Bonds5

About 1,2,3,5,5-penta(propan-2-yl)cyclopenta-1,3-diene

1,2,3,5,5-penta(propan-2-yl)cyclopenta-1,3-diene (PubChem CID 90990856) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 1,2,3,5,5-penta(propan-2-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,5,5-penta(propan-2-yl)cyclopenta-1,3-diene
PubChem CID90990856
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name1,2,3,5,5-penta(propan-2-yl)cyclopenta-1,3-diene
SMILESCC(C)C1=CC(C(C)C)(C(C)C)C(C(C)C)=C1C(C)C
InChIInChI=1S/C20H36/c1-12(2)17-11-20(15(7)8,16(9)10)19(14(5)6)18(17)13(3)4/h11-16H,1-10H3
InChIKeyDMEOUKACTSLAGV-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 10581
CID 10581
CID 446439
CID 446439
CID 6384254
CID 6384254
CID 5281230
CID 5281230
CID 12358808
CID 12358808
CID 11747713
CID 11747713
CID 70679219
CID 70679219
CID 6441660
CID 6441660
CID 6430770
CID 6430770
CID 11075368
CID 11075368
CID 70679218
CID 70679218
CID 137655975
CID 137655975

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,5-penta(propan-2-yl)cyclopenta-1,3-diene?
The IUPAC name of 1,2,3,5,5-penta(propan-2-yl)cyclopenta-1,3-diene (CID 90990856) is 1,2,3,5,5-penta(propan-2-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,5,5-penta(propan-2-yl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,5,5-penta(propan-2-yl)cyclopenta-1,3-diene is CC(C)C1=CC(C(C)C)(C(C)C)C(C(C)C)=C1C(C)C.
What is the InChIKey of 1,2,3,5,5-penta(propan-2-yl)cyclopenta-1,3-diene?
The InChIKey is DMEOUKACTSLAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-12(2)17-11-20(15(7)8,16(9)10)19(14(5)6)18(17)13(3)4/h11-16H,1-10H3.
What are the key properties of 1,2,3,5,5-penta(propan-2-yl)cyclopenta-1,3-diene?
1,2,3,5,5-penta(propan-2-yl)cyclopenta-1,3-diene has a molecular weight of 276.51 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,5-penta(propan-2-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 90990856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).