ethane;2-prop-2-enylcyclopenta-1,3-diene

C10H16 — CID 142584278

IUPACethane;2-prop-2-enylcyclopenta-1,3-diene
SMILESC=CCC1=CCC=C1.CC
InChIInChI=1S/C8H10.C2H6/c1-2-5-8-6-3-4-7-8;1-2/h2-3,6-7H,1,4-5H2;1-2H3
InChIKeyGRGCUCURVVHFAE-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.47
Rot. Bonds2

About ethane;2-prop-2-enylcyclopenta-1,3-diene

ethane;2-prop-2-enylcyclopenta-1,3-diene (PubChem CID 142584278) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is ethane;2-prop-2-enylcyclopenta-1,3-diene.

Molecular Properties

Compound Nameethane;2-prop-2-enylcyclopenta-1,3-diene
PubChem CID142584278
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Nameethane;2-prop-2-enylcyclopenta-1,3-diene
SMILESC=CCC1=CCC=C1.CC
InChIInChI=1S/C8H10.C2H6/c1-2-5-8-6-3-4-7-8;1-2/h2-3,6-7H,1,4-5H2;1-2H3
InChIKeyGRGCUCURVVHFAE-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;2-propylcyclopenta-1,3-diene
CID 142052577
2-(2-bromoethyl)cyclopenta-1,3-diene
CID 91385772
5-methylidene-2-prop-2-enylcyclohexa-1,3-diene
CID 90750387
2-(3-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)cyclopenta-1,3-diene
CID 87447368
2-(methylsulfanylmethyl)cyclopenta-1,3-diene
CID 22555406
N-(cyclopenta-1,4-dien-1-ylmethyl)methanimine
CID 163815905
3-cyclopenta-1,4-dien-1-ylpropanal
CID 12934697
2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium
CID 175034285
cyclopenta-1,4-dien-1-yl-dimethyl-prop-2-enylsilane
CID 140820783
2-heptadecylcyclopenta-1,3-diene
CID 91156945
cyclopenta-1,4-dien-1-ylmethoxy(trimethyl)silane
CID 22555170
2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene
CID 15841181

Frequently Asked Questions

What is the IUPAC name of ethane;2-prop-2-enylcyclopenta-1,3-diene?
The IUPAC name of ethane;2-prop-2-enylcyclopenta-1,3-diene (CID 142584278) is ethane;2-prop-2-enylcyclopenta-1,3-diene.
What is the SMILES notation for ethane;2-prop-2-enylcyclopenta-1,3-diene?
The canonical SMILES for ethane;2-prop-2-enylcyclopenta-1,3-diene is C=CCC1=CCC=C1.CC.
What is the InChIKey of ethane;2-prop-2-enylcyclopenta-1,3-diene?
The InChIKey is GRGCUCURVVHFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C2H6/c1-2-5-8-6-3-4-7-8;1-2/h2-3,6-7H,1,4-5H2;1-2H3.
What are the key properties of ethane;2-prop-2-enylcyclopenta-1,3-diene?
ethane;2-prop-2-enylcyclopenta-1,3-diene has a molecular weight of 136.24 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-prop-2-enylcyclopenta-1,3-diene is sourced from PubChem (CID 142584278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).