cyclopenta-1,3-diene;2-methylpropane

C9H16 — CID 157267237

IUPACcyclopenta-1,3-diene;2-methylpropane
SMILESC1=CCC=C1.CC(C)C
InChIInChI=1S/C5H6.C4H10/c1-2-4-5-3-1;1-4(2)3/h1-4H,5H2;4H,1-3H3
InChIKeyAYDDLKZQSDKKHZ-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.16
Rot. Bonds

About cyclopenta-1,3-diene;2-methylpropane

cyclopenta-1,3-diene;2-methylpropane (PubChem CID 157267237) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-methylpropane.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-methylpropane
PubChem CID157267237
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Namecyclopenta-1,3-diene;2-methylpropane
SMILESC1=CCC=C1.CC(C)C
InChIInChI=1S/C5H6.C4H10/c1-2-4-5-3-1;1-4(2)3/h1-4H,5H2;4H,1-3H3
InChIKeyAYDDLKZQSDKKHZ-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-methylpropane?
The IUPAC name of cyclopenta-1,3-diene;2-methylpropane (CID 157267237) is cyclopenta-1,3-diene;2-methylpropane.
What is the SMILES notation for cyclopenta-1,3-diene;2-methylpropane?
The canonical SMILES for cyclopenta-1,3-diene;2-methylpropane is C1=CCC=C1.CC(C)C.
What is the InChIKey of cyclopenta-1,3-diene;2-methylpropane?
The InChIKey is AYDDLKZQSDKKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.C4H10/c1-2-4-5-3-1;1-4(2)3/h1-4H,5H2;4H,1-3H3.
What are the key properties of cyclopenta-1,3-diene;2-methylpropane?
cyclopenta-1,3-diene;2-methylpropane has a molecular weight of 124.23 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-methylpropane is sourced from PubChem (CID 157267237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).