ethyl (Z)-3-chloro-2-propylhex-2-enoate

C11H19ClO2 — CID 101031693

IUPACethyl (Z)-3-chloro-2-propylhex-2-enoate
SMILESCCC/C(Cl)=C(\CCC)C(=O)OCC
InChIInChI=1S/C11H19ClO2/c1-4-7-9(10(12)8-5-2)11(13)14-6-3/h4-8H2,1-3H3/b10-9-
InChIKeyDMRBUHKBZXWVHX-KTKRTIGZSA-N
MW218.72 g/mol
LogP3.64
Rot. Bonds6

About ethyl (Z)-3-chloro-2-propylhex-2-enoate

ethyl (Z)-3-chloro-2-propylhex-2-enoate (PubChem CID 101031693) has the molecular formula C11H19ClO2 and a molecular weight of 218.72 g/mol. Its IUPAC name is ethyl (Z)-3-chloro-2-propylhex-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-chloro-2-propylhex-2-enoate
PubChem CID101031693
Molecular FormulaC11H19ClO2
Molecular Weight218.72 g/mol
Exact Mass218.11
IUPAC Nameethyl (Z)-3-chloro-2-propylhex-2-enoate
SMILESCCC/C(Cl)=C(\CCC)C(=O)OCC
InChIInChI=1S/C11H19ClO2/c1-4-7-9(10(12)8-5-2)11(13)14-6-3/h4-8H2,1-3H3/b10-9-
InChIKeyDMRBUHKBZXWVHX-KTKRTIGZSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.72
LogP ≤ 53.64
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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Related Compounds

4,5-Dimethyl-cyclohexa-1,4-diene-1,2-dicarboxylic acid diethyl ester
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diethyl (E)-2-fluoro-3-propylbut-2-enedioate
CID 10082659
diethyl (Z)-2-fluoro-3-propylbut-2-enedioate
CID 101674489
ethyl (Z)-3-fluoro-2-propylhex-2-enoate
CID 102044202
Ethyl 4-chloro-2-methylcyclohexa-1,3-diene-1-carboxylate
CID 9877668
1-Cyclopentene-1-carboxylic acid, 2-chloro-, methyl ester
CID 11194493
ethyl (Z)-3-iodo-2-propylhex-2-enoate
CID 11278306
Ethyl 2-cyclohexylidenepentanoate
CID 12532732
3-methyl-4-propyl-2H-furan-5-one
CID 12928196
Ethyl 2-chlorocyclopentene-1-carboxylate
CID 14902751
3,4-dipropyl-2H-furan-5-one
CID 54556549
Ethyl 2,3,4-trimethylcyclopenta-1,3-diene-1-carboxylate
CID 58099782

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-chloro-2-propylhex-2-enoate?
The IUPAC name of ethyl (Z)-3-chloro-2-propylhex-2-enoate (CID 101031693) is ethyl (Z)-3-chloro-2-propylhex-2-enoate.
What is the SMILES notation for ethyl (Z)-3-chloro-2-propylhex-2-enoate?
The canonical SMILES for ethyl (Z)-3-chloro-2-propylhex-2-enoate is CCC/C(Cl)=C(\CCC)C(=O)OCC.
What is the InChIKey of ethyl (Z)-3-chloro-2-propylhex-2-enoate?
The InChIKey is DMRBUHKBZXWVHX-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H19ClO2/c1-4-7-9(10(12)8-5-2)11(13)14-6-3/h4-8H2,1-3H3/b10-9-.
What are the key properties of ethyl (Z)-3-chloro-2-propylhex-2-enoate?
ethyl (Z)-3-chloro-2-propylhex-2-enoate has a molecular weight of 218.72 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-chloro-2-propylhex-2-enoate is sourced from PubChem (CID 101031693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).