ethyl (2R)-2-tert-butylpent-4-enoate

C11H20O2 — CID 98010160

IUPACethyl (2R)-2-tert-butylpent-4-enoate
SMILESC=CC[C@@H](C(=O)OCC)C(C)(C)C
InChIInChI=1S/C11H20O2/c1-6-8-9(11(3,4)5)10(12)13-7-2/h6,9H,1,7-8H2,2-5H3/t9-/m0/s1
InChIKeyLKGBWTOZHJWQRM-VIFPVBQESA-N
MW184.28 g/mol
LogP2.79
Rot. Bonds4

About ethyl (2R)-2-tert-butylpent-4-enoate

ethyl (2R)-2-tert-butylpent-4-enoate (PubChem CID 98010160) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is ethyl (2R)-2-tert-butylpent-4-enoate.

Molecular Properties

Compound Nameethyl (2R)-2-tert-butylpent-4-enoate
PubChem CID98010160
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nameethyl (2R)-2-tert-butylpent-4-enoate
SMILESC=CC[C@@H](C(=O)OCC)C(C)(C)C
InChIInChI=1S/C11H20O2/c1-6-8-9(11(3,4)5)10(12)13-7-2/h6,9H,1,7-8H2,2-5H3/t9-/m0/s1
InChIKeyLKGBWTOZHJWQRM-VIFPVBQESA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butane;diethyl 2-prop-2-enylpropanedioate
CID 129080422
ethyl 3,3-dimethyl-2-(pent-4-en-2-ylcarbamoyl)butanoate
CID 116538291
ethyl (2S)-2-(dihydroxyamino)pent-4-enoate
CID 87282808
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]pent-4-enoate
CID 125476863
ethyl 2,3-diethyl-3-hydroxypent-4-enoate
CID 66037869
ethyl 2-amino-2-methylpent-4-enoate
CID 10103394
diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
CID 11782898
ethyl (2R)-2,3,3-trimethylbutanoate
CID 59132263
ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299649
ethyl (2S)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299650
ethyl 2-formyl-3,3-dimethylbutanoate
CID 90419513
ethyl (2S)-2-[(1R)-1-hydroxypropyl]-2-methylpent-4-enoate
CID 58226973

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-tert-butylpent-4-enoate?
The IUPAC name of ethyl (2R)-2-tert-butylpent-4-enoate (CID 98010160) is ethyl (2R)-2-tert-butylpent-4-enoate.
What is the SMILES notation for ethyl (2R)-2-tert-butylpent-4-enoate?
The canonical SMILES for ethyl (2R)-2-tert-butylpent-4-enoate is C=CC[C@@H](C(=O)OCC)C(C)(C)C.
What is the InChIKey of ethyl (2R)-2-tert-butylpent-4-enoate?
The InChIKey is LKGBWTOZHJWQRM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20O2/c1-6-8-9(11(3,4)5)10(12)13-7-2/h6,9H,1,7-8H2,2-5H3/t9-/m0/s1.
What are the key properties of ethyl (2R)-2-tert-butylpent-4-enoate?
ethyl (2R)-2-tert-butylpent-4-enoate has a molecular weight of 184.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-tert-butylpent-4-enoate is sourced from PubChem (CID 98010160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).