ethyl 3-ethyl-2-(3-ethylpentan-3-yl)pent-2-enoate

C16H30O2 — CID 18551456

IUPACethyl 3-ethyl-2-(3-ethylpentan-3-yl)pent-2-enoate
SMILESCCOC(=O)C(=C(CC)CC)C(CC)(CC)CC
InChIInChI=1S/C16H30O2/c1-7-13(8-2)14(15(17)18-12-6)16(9-3,10-4)11-5/h7-12H2,1-6H3
InChIKeyWMTNNFCFKSAYFA-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.88
Rot. Bonds8

About ethyl 3-ethyl-2-(3-ethylpentan-3-yl)pent-2-enoate

ethyl 3-ethyl-2-(3-ethylpentan-3-yl)pent-2-enoate (PubChem CID 18551456) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is ethyl 3-ethyl-2-(3-ethylpentan-3-yl)pent-2-enoate.

Molecular Properties

Compound Nameethyl 3-ethyl-2-(3-ethylpentan-3-yl)pent-2-enoate
PubChem CID18551456
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Nameethyl 3-ethyl-2-(3-ethylpentan-3-yl)pent-2-enoate
SMILESCCOC(=O)C(=C(CC)CC)C(CC)(CC)CC
InChIInChI=1S/C16H30O2/c1-7-13(8-2)14(15(17)18-12-6)16(9-3,10-4)11-5/h7-12H2,1-6H3
InChIKeyWMTNNFCFKSAYFA-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-2-(3-ethylpentan-3-yl)pent-2-enoate?
The IUPAC name of ethyl 3-ethyl-2-(3-ethylpentan-3-yl)pent-2-enoate (CID 18551456) is ethyl 3-ethyl-2-(3-ethylpentan-3-yl)pent-2-enoate.
What is the SMILES notation for ethyl 3-ethyl-2-(3-ethylpentan-3-yl)pent-2-enoate?
The canonical SMILES for ethyl 3-ethyl-2-(3-ethylpentan-3-yl)pent-2-enoate is CCOC(=O)C(=C(CC)CC)C(CC)(CC)CC.
What is the InChIKey of ethyl 3-ethyl-2-(3-ethylpentan-3-yl)pent-2-enoate?
The InChIKey is WMTNNFCFKSAYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-7-13(8-2)14(15(17)18-12-6)16(9-3,10-4)11-5/h7-12H2,1-6H3.
What are the key properties of ethyl 3-ethyl-2-(3-ethylpentan-3-yl)pent-2-enoate?
ethyl 3-ethyl-2-(3-ethylpentan-3-yl)pent-2-enoate has a molecular weight of 254.41 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-2-(3-ethylpentan-3-yl)pent-2-enoate is sourced from PubChem (CID 18551456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).