2-(2-methylpentan-2-yl)-5-propan-2-ylidenecyclopenta-1,3-diene

C14H22 — CID 22327789

IUPAC2-(2-methylpentan-2-yl)-5-propan-2-ylidenecyclopenta-1,3-diene
SMILESCCCC(C)(C)C1=CC(=C(C)C)C=C1
InChIInChI=1S/C14H22/c1-6-9-14(4,5)13-8-7-12(10-13)11(2)3/h7-8,10H,6,9H2,1-5H3
InChIKeyOYKWYIGFNNSYLQ-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.65
Rot. Bonds3

About 2-(2-methylpentan-2-yl)-5-propan-2-ylidenecyclopenta-1,3-diene

2-(2-methylpentan-2-yl)-5-propan-2-ylidenecyclopenta-1,3-diene (PubChem CID 22327789) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 2-(2-methylpentan-2-yl)-5-propan-2-ylidenecyclopenta-1,3-diene.

Molecular Properties

Compound Name2-(2-methylpentan-2-yl)-5-propan-2-ylidenecyclopenta-1,3-diene
PubChem CID22327789
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name2-(2-methylpentan-2-yl)-5-propan-2-ylidenecyclopenta-1,3-diene
SMILESCCCC(C)(C)C1=CC(=C(C)C)C=C1
InChIInChI=1S/C14H22/c1-6-9-14(4,5)13-8-7-12(10-13)11(2)3/h7-8,10H,6,9H2,1-5H3
InChIKeyOYKWYIGFNNSYLQ-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-2-yl)-5-propan-2-ylidenecyclopenta-1,3-diene?
The IUPAC name of 2-(2-methylpentan-2-yl)-5-propan-2-ylidenecyclopenta-1,3-diene (CID 22327789) is 2-(2-methylpentan-2-yl)-5-propan-2-ylidenecyclopenta-1,3-diene.
What is the SMILES notation for 2-(2-methylpentan-2-yl)-5-propan-2-ylidenecyclopenta-1,3-diene?
The canonical SMILES for 2-(2-methylpentan-2-yl)-5-propan-2-ylidenecyclopenta-1,3-diene is CCCC(C)(C)C1=CC(=C(C)C)C=C1.
What is the InChIKey of 2-(2-methylpentan-2-yl)-5-propan-2-ylidenecyclopenta-1,3-diene?
The InChIKey is OYKWYIGFNNSYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-6-9-14(4,5)13-8-7-12(10-13)11(2)3/h7-8,10H,6,9H2,1-5H3.
What are the key properties of 2-(2-methylpentan-2-yl)-5-propan-2-ylidenecyclopenta-1,3-diene?
2-(2-methylpentan-2-yl)-5-propan-2-ylidenecyclopenta-1,3-diene has a molecular weight of 190.33 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-2-yl)-5-propan-2-ylidenecyclopenta-1,3-diene is sourced from PubChem (CID 22327789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).