methyl (Z)-2-chlorohex-2-enoate

C7H11ClO2 — CID 12547214

IUPACmethyl (Z)-2-chlorohex-2-enoate
SMILESCCC/C=C(\Cl)C(=O)OC
InChIInChI=1S/C7H11ClO2/c1-3-4-5-6(8)7(9)10-2/h5H,3-4H2,1-2H3/b6-5-
InChIKeyPLPAWJASYQBLLN-WAYWQWQTSA-N
MW162.62 g/mol
LogP2.08
Rot. Bonds3

About methyl (Z)-2-chlorohex-2-enoate

methyl (Z)-2-chlorohex-2-enoate (PubChem CID 12547214) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is methyl (Z)-2-chlorohex-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-chlorohex-2-enoate
PubChem CID12547214
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Namemethyl (Z)-2-chlorohex-2-enoate
SMILESCCC/C=C(\Cl)C(=O)OC
InChIInChI=1S/C7H11ClO2/c1-3-4-5-6(8)7(9)10-2/h5H,3-4H2,1-2H3/b6-5-
InChIKeyPLPAWJASYQBLLN-WAYWQWQTSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 52.08
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

methyl (E)-2-methylhex-2-enoate
CID 5364816
methyl (E)-2-acetylhex-2-enoate
CID 12838651
methyl (Z)-2-formamidohex-2-enoate
CID 11571868
(Z)-2-methoxycarbonylhex-2-ene-1-sulfinic acid
CID 14116063
methyl 2-prop-2-enylhex-2-enoate
CID 174771854
dimethyl 2-chlorobut-2-enedioate
CID 29567
N-chloro-2-methylhex-2-enamide
CID 140536869
methyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
CID 14370745
dimethyl 2-[(Z)-dec-6-enylidene]propanedioate
CID 101013837
3-(chloromethyl)hept-3-enoyl chloride
CID 138646632
N-methoxy-2-methylhex-2-enamide
CID 159177287
methyl (E)-2-methylhept-2-enoate
CID 13122847

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-chlorohex-2-enoate?
The IUPAC name of methyl (Z)-2-chlorohex-2-enoate (CID 12547214) is methyl (Z)-2-chlorohex-2-enoate.
What is the SMILES notation for methyl (Z)-2-chlorohex-2-enoate?
The canonical SMILES for methyl (Z)-2-chlorohex-2-enoate is CCC/C=C(\Cl)C(=O)OC.
What is the InChIKey of methyl (Z)-2-chlorohex-2-enoate?
The InChIKey is PLPAWJASYQBLLN-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H11ClO2/c1-3-4-5-6(8)7(9)10-2/h5H,3-4H2,1-2H3/b6-5-.
What are the key properties of methyl (Z)-2-chlorohex-2-enoate?
methyl (Z)-2-chlorohex-2-enoate has a molecular weight of 162.62 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-chlorohex-2-enoate is sourced from PubChem (CID 12547214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).