6-chlorohex-4-enyl 2-methylprop-2-enoate

C10H15ClO2 — CID 175125231

IUPAC6-chlorohex-4-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC=CCCl
InChIInChI=1S/C10H15ClO2/c1-9(2)10(12)13-8-6-4-3-5-7-11/h3,5H,1,4,6-8H2,2H3
InChIKeyDCXTZRNDTSASCN-UHFFFAOYSA-N
MW202.68 g/mol
LogP2.68
Rot. Bonds6

About 6-chlorohex-4-enyl 2-methylprop-2-enoate

6-chlorohex-4-enyl 2-methylprop-2-enoate (PubChem CID 175125231) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is 6-chlorohex-4-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-chlorohex-4-enyl 2-methylprop-2-enoate
PubChem CID175125231
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Name6-chlorohex-4-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC=CCCl
InChIInChI=1S/C10H15ClO2/c1-9(2)10(12)13-8-6-4-3-5-7-11/h3,5H,1,4,6-8H2,2H3
InChIKeyDCXTZRNDTSASCN-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(Z)-octadec-9-enyl] 2-methylprop-2-enoate
CID 6436390
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
[(9Z,12Z)-octadeca-9,12-dienyl] 2-methylprop-2-enoate
CID 86733419
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
[(Z)-19-oxotetratriacont-9-enyl] 2-methylprop-2-enoate
CID 141330301
4-(3-chloropropylperoxy)butyl 2-methylprop-2-enoate
CID 20811190
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
2-octadec-9-enoxyethyl 2-methylprop-2-enoate
CID 90778770
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
3-sulfanylpropyl 2-methylprop-2-enoate
CID 10034892

Frequently Asked Questions

What is the IUPAC name of 6-chlorohex-4-enyl 2-methylprop-2-enoate?
The IUPAC name of 6-chlorohex-4-enyl 2-methylprop-2-enoate (CID 175125231) is 6-chlorohex-4-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-chlorohex-4-enyl 2-methylprop-2-enoate?
The canonical SMILES for 6-chlorohex-4-enyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC=CCCl.
What is the InChIKey of 6-chlorohex-4-enyl 2-methylprop-2-enoate?
The InChIKey is DCXTZRNDTSASCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO2/c1-9(2)10(12)13-8-6-4-3-5-7-11/h3,5H,1,4,6-8H2,2H3.
What are the key properties of 6-chlorohex-4-enyl 2-methylprop-2-enoate?
6-chlorohex-4-enyl 2-methylprop-2-enoate has a molecular weight of 202.68 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorohex-4-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 175125231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).