propan-2-yl (Z)-3-chlorooct-2-enoate

C11H19ClO2 — CID 10727569

IUPACpropan-2-yl (Z)-3-chlorooct-2-enoate
SMILESCCCCC/C(Cl)=C/C(=O)OC(C)C
InChIInChI=1S/C11H19ClO2/c1-4-5-6-7-10(12)8-11(13)14-9(2)3/h8-9H,4-7H2,1-3H3/b10-8-
InChIKeyRGQJSLFFSJBJJR-NTMALXAHSA-N
MW218.72 g/mol
LogP3.64
Rot. Bonds6

About propan-2-yl (Z)-3-chlorooct-2-enoate

propan-2-yl (Z)-3-chlorooct-2-enoate (PubChem CID 10727569) has the molecular formula C11H19ClO2 and a molecular weight of 218.72 g/mol. Its IUPAC name is propan-2-yl (Z)-3-chlorooct-2-enoate.

Molecular Properties

Compound Namepropan-2-yl (Z)-3-chlorooct-2-enoate
PubChem CID10727569
Molecular FormulaC11H19ClO2
Molecular Weight218.72 g/mol
Exact Mass218.11
IUPAC Namepropan-2-yl (Z)-3-chlorooct-2-enoate
SMILESCCCCC/C(Cl)=C/C(=O)OC(C)C
InChIInChI=1S/C11H19ClO2/c1-4-5-6-7-10(12)8-11(13)14-9(2)3/h8-9H,4-7H2,1-3H3/b10-8-
InChIKeyRGQJSLFFSJBJJR-NTMALXAHSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-7-chloro-3-fluorohept-2-enoate
CID 138979950
methyl (Z)-3-chlorohept-2-enoate
CID 11105899
ethyl (E)-4-chlorohept-2-enoate
CID 20288692
Ethyl 7-chlorohept-2-enoate
CID 11469562
methyl (2Z,4Z)-5-chlorodeca-2,4-dienoate
CID 101470999
propan-2-yl (E)-3-chloro-2-methylselanylnon-2-enoate
CID 134935754
2,8-Nonadienoic acid, isopropyl ester
CID 5362671
3-chloro-2-heptyl-2H-furan-5-one
CID 10798785
prop-2-enyl (E)-3-chlorooct-2-enoate
CID 11117470
(E)-ethyl 7-chlorohept-2-enoate
CID 10050447
ethyl (E)-6-chloro-3-methylhex-2-enoate
CID 13777404
propyl (E)-4-chlorohept-2-enoate
CID 20288686

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (Z)-3-chlorooct-2-enoate?
The IUPAC name of propan-2-yl (Z)-3-chlorooct-2-enoate (CID 10727569) is propan-2-yl (Z)-3-chlorooct-2-enoate.
What is the SMILES notation for propan-2-yl (Z)-3-chlorooct-2-enoate?
The canonical SMILES for propan-2-yl (Z)-3-chlorooct-2-enoate is CCCCC/C(Cl)=C/C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (Z)-3-chlorooct-2-enoate?
The InChIKey is RGQJSLFFSJBJJR-NTMALXAHSA-N. The full InChI is InChI=1S/C11H19ClO2/c1-4-5-6-7-10(12)8-11(13)14-9(2)3/h8-9H,4-7H2,1-3H3/b10-8-.
What are the key properties of propan-2-yl (Z)-3-chlorooct-2-enoate?
propan-2-yl (Z)-3-chlorooct-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 propan-2-yl (Z)-3-chlorooct-2-enoate is sourced from PubChem (CID 10727569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).