ethane;2-propylcyclopenta-1,3-diene

C12H24 — CID 142052577

IUPACethane;2-propylcyclopenta-1,3-diene
SMILESCC.CC.CCCC1=CCC=C1
InChIInChI=1S/C8H12.2C2H6/c1-2-5-8-6-3-4-7-8;2*1-2/h3,6-7H,2,4-5H2,1H3;2*1-2H3
InChIKeyVATFRPKSYLUGFB-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.73
Rot. Bonds2

About ethane;2-propylcyclopenta-1,3-diene

ethane;2-propylcyclopenta-1,3-diene (PubChem CID 142052577) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is ethane;2-propylcyclopenta-1,3-diene.

Molecular Properties

Compound Nameethane;2-propylcyclopenta-1,3-diene
PubChem CID142052577
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Nameethane;2-propylcyclopenta-1,3-diene
SMILESCC.CC.CCCC1=CCC=C1
InChIInChI=1S/C8H12.2C2H6/c1-2-5-8-6-3-4-7-8;2*1-2/h3,6-7H,2,4-5H2,1H3;2*1-2H3
InChIKeyVATFRPKSYLUGFB-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-heptadecylcyclopenta-1,3-diene
CID 91156945
2-(2-bromoethyl)cyclopenta-1,3-diene
CID 91385772
2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene
CID 143596428
2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene
CID 15841181
CID 145359118
CID 145359118
3-cyclopenta-1,4-dien-1-ylpropanal
CID 12934697
2-(2-propan-2-ylsulfanylethyl)cyclopenta-1,3-diene
CID 87976124
2-methoxy-5-propylcyclohepta-1,3,5-triene
CID 143063211
ethane;2-prop-2-enylcyclopenta-1,3-diene
CID 142584278
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
8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane
CID 173001338

Frequently Asked Questions

What is the IUPAC name of ethane;2-propylcyclopenta-1,3-diene?
The IUPAC name of ethane;2-propylcyclopenta-1,3-diene (CID 142052577) is ethane;2-propylcyclopenta-1,3-diene.
What is the SMILES notation for ethane;2-propylcyclopenta-1,3-diene?
The canonical SMILES for ethane;2-propylcyclopenta-1,3-diene is CC.CC.CCCC1=CCC=C1.
What is the InChIKey of ethane;2-propylcyclopenta-1,3-diene?
The InChIKey is VATFRPKSYLUGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.2C2H6/c1-2-5-8-6-3-4-7-8;2*1-2/h3,6-7H,2,4-5H2,1H3;2*1-2H3.
What are the key properties of ethane;2-propylcyclopenta-1,3-diene?
ethane;2-propylcyclopenta-1,3-diene has a molecular weight of 168.32 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propylcyclopenta-1,3-diene is sourced from PubChem (CID 142052577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).