ethane;5-methylcyclopenta-1,3-diene

C10H20 — CID 91295870

IUPACethane;5-methylcyclopenta-1,3-diene
SMILESCC.CC.CC1C=CC=C1
InChIInChI=1S/C6H8.2C2H6/c1-6-4-2-3-5-6;2*1-2/h2-6H,1H3;2*1-2H3
InChIKeyZBXBXKKOCNCEOW-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.80
Rot. Bonds

About ethane;5-methylcyclopenta-1,3-diene

ethane;5-methylcyclopenta-1,3-diene (PubChem CID 91295870) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is ethane;5-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Nameethane;5-methylcyclopenta-1,3-diene
PubChem CID91295870
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Nameethane;5-methylcyclopenta-1,3-diene
SMILESCC.CC.CC1C=CC=C1
InChIInChI=1S/C6H8.2C2H6/c1-6-4-2-3-5-6;2*1-2/h2-6H,1H3;2*1-2H3
InChIKeyZBXBXKKOCNCEOW-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methylcyclopenta-1,3-diene?
The IUPAC name of ethane;5-methylcyclopenta-1,3-diene (CID 91295870) is ethane;5-methylcyclopenta-1,3-diene.
What is the SMILES notation for ethane;5-methylcyclopenta-1,3-diene?
The canonical SMILES for ethane;5-methylcyclopenta-1,3-diene is CC.CC.CC1C=CC=C1.
What is the InChIKey of ethane;5-methylcyclopenta-1,3-diene?
The InChIKey is ZBXBXKKOCNCEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8.2C2H6/c1-6-4-2-3-5-6;2*1-2/h2-6H,1H3;2*1-2H3.
What are the key properties of ethane;5-methylcyclopenta-1,3-diene?
ethane;5-methylcyclopenta-1,3-diene has a molecular weight of 140.27 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylcyclopenta-1,3-diene is sourced from PubChem (CID 91295870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).