ethyl 4-chloro-2-propan-2-ylpent-4-enoate

C10H17ClO2 — CID 13370940

IUPACethyl 4-chloro-2-propan-2-ylpent-4-enoate
SMILESC=C(Cl)CC(C(=O)OCC)C(C)C
InChIInChI=1S/C10H17ClO2/c1-5-13-10(12)9(7(2)3)6-8(4)11/h7,9H,4-6H2,1-3H3
InChIKeyHWYQPOCXHSDIHD-UHFFFAOYSA-N
MW204.70 g/mol
LogP2.96
Rot. Bonds5

About ethyl 4-chloro-2-propan-2-ylpent-4-enoate

ethyl 4-chloro-2-propan-2-ylpent-4-enoate (PubChem CID 13370940) has the molecular formula C10H17ClO2 and a molecular weight of 204.70 g/mol. Its IUPAC name is ethyl 4-chloro-2-propan-2-ylpent-4-enoate.

Molecular Properties

Compound Nameethyl 4-chloro-2-propan-2-ylpent-4-enoate
PubChem CID13370940
Molecular FormulaC10H17ClO2
Molecular Weight204.70 g/mol
Exact Mass204.09
IUPAC Nameethyl 4-chloro-2-propan-2-ylpent-4-enoate
SMILESC=C(Cl)CC(C(=O)OCC)C(C)C
InChIInChI=1S/C10H17ClO2/c1-5-13-10(12)9(7(2)3)6-8(4)11/h7,9H,4-6H2,1-3H3
InChIKeyHWYQPOCXHSDIHD-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174674506
ethyl 5-carbamoyl-4-oxo-2-propan-2-ylheptanoate
CID 170987152
4-hydroxy-2-propan-2-ylpent-4-enamide
CID 145216549
ethyl 4-formyl-3-propan-2-ylpent-4-enoate
CID 151463470
ethyl 2-(cyanomethyl)-3-methylbutanoate
CID 134955615
(3R)-4-ethoxy-2,3-dimethyl-4-oxobutanoic acid
CID 150582435
diethyl (2R,3R)-2,3-bis(2-methylpropyl)butanedioate
CID 100932305
diethyl 2-ethyl-3-methylbutanedioate
CID 19419903
diethyl 2-ethyl-3-methylpentanedioate
CID 13403909
diethyl 2-ethyl-3-propan-2-ylbutanedioate
CID 22639846
ethyl (2S)-3-methyl-2-(nitromethyl)butanoate
CID 102392020
ethyl 2-hydroxypropanoate;sulfane
CID 162209332

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2-propan-2-ylpent-4-enoate?
The IUPAC name of ethyl 4-chloro-2-propan-2-ylpent-4-enoate (CID 13370940) is ethyl 4-chloro-2-propan-2-ylpent-4-enoate.
What is the SMILES notation for ethyl 4-chloro-2-propan-2-ylpent-4-enoate?
The canonical SMILES for ethyl 4-chloro-2-propan-2-ylpent-4-enoate is C=C(Cl)CC(C(=O)OCC)C(C)C.
What is the InChIKey of ethyl 4-chloro-2-propan-2-ylpent-4-enoate?
The InChIKey is HWYQPOCXHSDIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO2/c1-5-13-10(12)9(7(2)3)6-8(4)11/h7,9H,4-6H2,1-3H3.
What are the key properties of ethyl 4-chloro-2-propan-2-ylpent-4-enoate?
ethyl 4-chloro-2-propan-2-ylpent-4-enoate has a molecular weight of 204.70 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-2-propan-2-ylpent-4-enoate is sourced from PubChem (CID 13370940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).