ethyl 2-ethyl-2-methylpent-3-ynoate

C10H16O2 — CID 118907362

IUPACethyl 2-ethyl-2-methylpent-3-ynoate
SMILESCC#CC(C)(CC)C(=O)OCC
InChIInChI=1S/C10H16O2/c1-5-8-10(4,6-2)9(11)12-7-3/h6-7H2,1-4H3
InChIKeyVAPYPHDHTXLAET-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.99
Rot. Bonds3

About ethyl 2-ethyl-2-methylpent-3-ynoate

ethyl 2-ethyl-2-methylpent-3-ynoate (PubChem CID 118907362) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethyl 2-ethyl-2-methylpent-3-ynoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-methylpent-3-ynoate
PubChem CID118907362
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameethyl 2-ethyl-2-methylpent-3-ynoate
SMILESCC#CC(C)(CC)C(=O)OCC
InChIInChI=1S/C10H16O2/c1-5-8-10(4,6-2)9(11)12-7-3/h6-7H2,1-4H3
InChIKeyVAPYPHDHTXLAET-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethane;ethyl 2-bromo-2-methylpropanoate
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ethyl 2,2-bis(sulfanyl)propanoate
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diethyl 2,2-ditert-butylpropanedioate
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ethyl (2R)-3-amino-2-fluoro-2-methylpropanoate
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ethyl 2-ethoxy-2-methylbutanoate
CID 21285842
diethyl 2-acetyloxy-2-methylpropanedioate
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diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895
ethyl (2S)-2-(cyanomethyl)-2-methylbutanoate
CID 155818706
ethyl 2-hydroxy-2,5-dimethylhex-3-ynoate
CID 18672296

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-methylpent-3-ynoate?
The IUPAC name of ethyl 2-ethyl-2-methylpent-3-ynoate (CID 118907362) is ethyl 2-ethyl-2-methylpent-3-ynoate.
What is the SMILES notation for ethyl 2-ethyl-2-methylpent-3-ynoate?
The canonical SMILES for ethyl 2-ethyl-2-methylpent-3-ynoate is CC#CC(C)(CC)C(=O)OCC.
What is the InChIKey of ethyl 2-ethyl-2-methylpent-3-ynoate?
The InChIKey is VAPYPHDHTXLAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-8-10(4,6-2)9(11)12-7-3/h6-7H2,1-4H3.
What are the key properties of ethyl 2-ethyl-2-methylpent-3-ynoate?
ethyl 2-ethyl-2-methylpent-3-ynoate has a molecular weight of 168.24 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-methylpent-3-ynoate is sourced from PubChem (CID 118907362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).