methyl 4-chloro-2,2-diethylpent-4-enoate

C10H17ClO2 — CID 18947544

IUPACmethyl 4-chloro-2,2-diethylpent-4-enoate
SMILESC=C(Cl)CC(CC)(CC)C(=O)OC
InChIInChI=1S/C10H17ClO2/c1-5-10(6-2,7-8(3)11)9(12)13-4/h3,5-7H2,1-2,4H3
InChIKeyNBBBSYQPGBZEFG-UHFFFAOYSA-N
MW204.70 g/mol
LogP3.11
Rot. Bonds5

About methyl 4-chloro-2,2-diethylpent-4-enoate

methyl 4-chloro-2,2-diethylpent-4-enoate (PubChem CID 18947544) has the molecular formula C10H17ClO2 and a molecular weight of 204.70 g/mol. Its IUPAC name is methyl 4-chloro-2,2-diethylpent-4-enoate.

Molecular Properties

Compound Namemethyl 4-chloro-2,2-diethylpent-4-enoate
PubChem CID18947544
Molecular FormulaC10H17ClO2
Molecular Weight204.70 g/mol
Exact Mass204.09
IUPAC Namemethyl 4-chloro-2,2-diethylpent-4-enoate
SMILESC=C(Cl)CC(CC)(CC)C(=O)OC
InChIInChI=1S/C10H17ClO2/c1-5-10(6-2,7-8(3)11)9(12)13-4/h3,5-7H2,1-2,4H3
InChIKeyNBBBSYQPGBZEFG-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2,2-diethylpent-4-enoate?
The IUPAC name of methyl 4-chloro-2,2-diethylpent-4-enoate (CID 18947544) is methyl 4-chloro-2,2-diethylpent-4-enoate.
What is the SMILES notation for methyl 4-chloro-2,2-diethylpent-4-enoate?
The canonical SMILES for methyl 4-chloro-2,2-diethylpent-4-enoate is C=C(Cl)CC(CC)(CC)C(=O)OC.
What is the InChIKey of methyl 4-chloro-2,2-diethylpent-4-enoate?
The InChIKey is NBBBSYQPGBZEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO2/c1-5-10(6-2,7-8(3)11)9(12)13-4/h3,5-7H2,1-2,4H3.
What are the key properties of methyl 4-chloro-2,2-diethylpent-4-enoate?
methyl 4-chloro-2,2-diethylpent-4-enoate has a molecular weight of 204.70 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2,2-diethylpent-4-enoate is sourced from PubChem (CID 18947544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).