methyl (E,4R)-4-methyldec-2-enoate

C12H22O2 — CID 24746221

IUPACmethyl (E,4R)-4-methyldec-2-enoate
SMILESCCCCCC[C@@H](C)/C=C/C(=O)OC
InChIInChI=1S/C12H22O2/c1-4-5-6-7-8-11(2)9-10-12(13)14-3/h9-11H,4-8H2,1-3H3/b10-9+/t11-/m1/s1
InChIKeyDKVPZLVICKIYFS-PBQZMEPESA-N
MW198.31 g/mol
LogP3.32
Rot. Bonds7

About methyl (E,4R)-4-methyldec-2-enoate

methyl (E,4R)-4-methyldec-2-enoate (PubChem CID 24746221) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is methyl (E,4R)-4-methyldec-2-enoate.

Molecular Properties

Compound Namemethyl (E,4R)-4-methyldec-2-enoate
PubChem CID24746221
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Namemethyl (E,4R)-4-methyldec-2-enoate
SMILESCCCCCC[C@@H](C)/C=C/C(=O)OC
InChIInChI=1S/C12H22O2/c1-4-5-6-7-8-11(2)9-10-12(13)14-3/h9-11H,4-8H2,1-3H3/b10-9+/t11-/m1/s1
InChIKeyDKVPZLVICKIYFS-PBQZMEPESA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.32
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

methyl (E)-4-hexyldec-2-enoate
CID 129015528
methyl (E,4S)-4-hydroxynon-2-enoate
CID 169408597
(E)-4-methyltetradec-2-enoic acid
CID 173352049
methyl (E)-4-hydroxyoct-2-enoate
CID 12872059
methyl 6-hydroxytetradec-2-en-4-ynoate
CID 23267308
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305
methyl (2S)-2-methylnonanoate
CID 12525304
methyl (E)-5-hydroxydec-2-enoate
CID 134979817
methyl (E)-4-hydroxyhept-2-enoate
CID 14434764
dimethyl 2,3-dihexadecylbutanedioate
CID 141293335
dimethyl 2-dodecylpropanedioate
CID 158514957

Frequently Asked Questions

What is the IUPAC name of methyl (E,4R)-4-methyldec-2-enoate?
The IUPAC name of methyl (E,4R)-4-methyldec-2-enoate (CID 24746221) is methyl (E,4R)-4-methyldec-2-enoate.
What is the SMILES notation for methyl (E,4R)-4-methyldec-2-enoate?
The canonical SMILES for methyl (E,4R)-4-methyldec-2-enoate is CCCCCC[C@@H](C)/C=C/C(=O)OC.
What is the InChIKey of methyl (E,4R)-4-methyldec-2-enoate?
The InChIKey is DKVPZLVICKIYFS-PBQZMEPESA-N. The full InChI is InChI=1S/C12H22O2/c1-4-5-6-7-8-11(2)9-10-12(13)14-3/h9-11H,4-8H2,1-3H3/b10-9+/t11-/m1/s1.
What are the key properties of methyl (E,4R)-4-methyldec-2-enoate?
methyl (E,4R)-4-methyldec-2-enoate has a molecular weight of 198.31 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,4R)-4-methyldec-2-enoate is sourced from PubChem (CID 24746221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).