ethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate

C14H28O2 — CID 142858342

IUPACethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate
SMILESCC.CC.CCOC(=O)CC1C=CCC1C
InChIInChI=1S/C10H16O2.2C2H6/c1-3-12-10(11)7-9-6-4-5-8(9)2;2*1-2/h4,6,8-9H,3,5,7H2,1-2H3;2*1-2H3
InChIKeyMTNXISMTDFYXOZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.20
Rot. Bonds3

About ethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate

ethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate (PubChem CID 142858342) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate.

Molecular Properties

Compound Nameethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate
PubChem CID142858342
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Nameethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate
SMILESCC.CC.CCOC(=O)CC1C=CCC1C
InChIInChI=1S/C10H16O2.2C2H6/c1-3-12-10(11)7-9-6-4-5-8(9)2;2*1-2/h4,6,8-9H,3,5,7H2,1-2H3;2*1-2H3
InChIKeyMTNXISMTDFYXOZ-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate?
The IUPAC name of ethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate (CID 142858342) is ethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate.
What is the SMILES notation for ethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate?
The canonical SMILES for ethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate is CC.CC.CCOC(=O)CC1C=CCC1C.
What is the InChIKey of ethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate?
The InChIKey is MTNXISMTDFYXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.2C2H6/c1-3-12-10(11)7-9-6-4-5-8(9)2;2*1-2/h4,6,8-9H,3,5,7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate?
ethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate has a molecular weight of 228.38 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate is sourced from PubChem (CID 142858342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).