methyl (2R)-2-ethenyldecanoate

C13H24O2 — CID 134850993

IUPACmethyl (2R)-2-ethenyldecanoate
SMILESC=C[C@@H](CCCCCCCC)C(=O)OC
InChIInChI=1S/C13H24O2/c1-4-6-7-8-9-10-11-12(5-2)13(14)15-3/h5,12H,2,4,6-11H2,1,3H3/t12-/m0/s1
InChIKeyUPMMRSVRLQOYAZ-LBPRGKRZSA-N
MW212.33 g/mol
LogP3.71
Rot. Bonds9

About methyl (2R)-2-ethenyldecanoate

methyl (2R)-2-ethenyldecanoate (PubChem CID 134850993) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is methyl (2R)-2-ethenyldecanoate.

Molecular Properties

Compound Namemethyl (2R)-2-ethenyldecanoate
PubChem CID134850993
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namemethyl (2R)-2-ethenyldecanoate
SMILESC=C[C@@H](CCCCCCCC)C(=O)OC
InChIInChI=1S/C13H24O2/c1-4-6-7-8-9-10-11-12(5-2)13(14)15-3/h5,12H,2,4,6-11H2,1,3H3/t12-/m0/s1
InChIKeyUPMMRSVRLQOYAZ-LBPRGKRZSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 10-undecenoate
CID 8138
Methyl 9-decenoate
CID 1778877
Isobutyl 10-undecenoate
CID 79457
Isodecyl Oleate
CID 6436737
Methyl 8-nonenoate
CID 554043
2-(Prop-2-en-1-yl)heptanoicacid
CID 13010746
9-Octadecenoic acid (9Z)-, isooctyl ester
CID 117863
2-Amyl 3-butenoic acid
CID 5282666
Methyl (E)-14-methylhexadec-8-enoate
CID 6436648
Methyl (Z)-14-methylhexadec-8-enoate
CID 20838712
Methyl tridec-12-enoate
CID 292982
Methyl dodec-11-enoate
CID 543920

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-ethenyldecanoate?
The IUPAC name of methyl (2R)-2-ethenyldecanoate (CID 134850993) is methyl (2R)-2-ethenyldecanoate.
What is the SMILES notation for methyl (2R)-2-ethenyldecanoate?
The canonical SMILES for methyl (2R)-2-ethenyldecanoate is C=C[C@@H](CCCCCCCC)C(=O)OC.
What is the InChIKey of methyl (2R)-2-ethenyldecanoate?
The InChIKey is UPMMRSVRLQOYAZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-6-7-8-9-10-11-12(5-2)13(14)15-3/h5,12H,2,4,6-11H2,1,3H3/t12-/m0/s1.
What are the key properties of methyl (2R)-2-ethenyldecanoate?
methyl (2R)-2-ethenyldecanoate has a molecular weight of 212.33 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-ethenyldecanoate is sourced from PubChem (CID 134850993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).