8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate

C15H25ClO4 — CID 102275209

IUPAC8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCOC(=O)[C@@H](C)Cl
InChIInChI=1S/C15H25ClO4/c1-12(2)14(17)19-10-8-6-4-5-7-9-11-20-15(18)13(3)16/h13H,1,4-11H2,2-3H3/t13-/m1/s1
InChIKeyWRTOLTHHBMSYSC-CYBMUJFWSA-N
MW304.81 g/mol
LogP3.62
Rot. Bonds11

About 8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate

8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate (PubChem CID 102275209) has the molecular formula C15H25ClO4 and a molecular weight of 304.81 g/mol. Its IUPAC name is 8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate
PubChem CID102275209
Molecular FormulaC15H25ClO4
Molecular Weight304.81 g/mol
Exact Mass304.14
IUPAC Name8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCOC(=O)[C@@H](C)Cl
InChIInChI=1S/C15H25ClO4/c1-12(2)14(17)19-10-8-6-4-5-7-9-11-20-15(18)13(3)16/h13H,1,4-11H2,2-3H3/t13-/m1/s1
InChIKeyWRTOLTHHBMSYSC-CYBMUJFWSA-N
XLogP3.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
9-propan-2-yloxynonyl 2-methylprop-2-enoate
CID 58451766
4-(2-methylprop-2-enoyloxy)butyl 2-methylbutanoate
CID 59696121
7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate
CID 172804867
[1-[6-(2-methylprop-2-enoyloxy)hexoxy]-1-oxopropan-2-yl]phosphonic acid
CID 176795551
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
nonyl 2-chloropropanoate
CID 527519
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189

Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate?
The IUPAC name of 8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate (CID 102275209) is 8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate.
What is the SMILES notation for 8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate?
The canonical SMILES for 8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCOC(=O)[C@@H](C)Cl.
What is the InChIKey of 8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate?
The InChIKey is WRTOLTHHBMSYSC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25ClO4/c1-12(2)14(17)19-10-8-6-4-5-7-9-11-20-15(18)13(3)16/h13H,1,4-11H2,2-3H3/t13-/m1/s1.
What are the key properties of 8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate?
8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate has a molecular weight of 304.81 g/mol, XLogP of 3.62, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate is sourced from PubChem (CID 102275209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).