methyl 2-methyl-3-propylhex-2-enoate

C11H20O2 — CID 15856734

IUPACmethyl 2-methyl-3-propylhex-2-enoate
SMILESCCCC(CCC)=C(C)C(=O)OC
InChIInChI=1S/C11H20O2/c1-5-7-10(8-6-2)9(3)11(12)13-4/h5-8H2,1-4H3
InChIKeyODVIUADNARLQNH-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.08
Rot. Bonds5

About methyl 2-methyl-3-propylhex-2-enoate

methyl 2-methyl-3-propylhex-2-enoate (PubChem CID 15856734) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is methyl 2-methyl-3-propylhex-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-propylhex-2-enoate
PubChem CID15856734
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namemethyl 2-methyl-3-propylhex-2-enoate
SMILESCCCC(CCC)=C(C)C(=O)OC
InChIInChI=1S/C11H20O2/c1-5-7-10(8-6-2)9(3)11(12)13-4/h5-8H2,1-4H3
InChIKeyODVIUADNARLQNH-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.08
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 2,3-dimethyltetradec-2-enoate
CID 175495328
methyl (E)-2,3-dimethylhept-2-enoate
CID 15174019
azane;methyl 2,3-dimethylhenicos-2-enoate
CID 174823246
dimethyl (Z)-2-dodecyl-3-methylbut-2-enedioate
CID 10853599
octyl 2-methyl-3-propylhex-2-enoate
CID 175495507
dimethyl 2,3-dipropylbut-2-enedioate
CID 86118404
CID 156594935
CID 156594935
dimethyl (Z)-2-butyl-3-methylbut-2-enedioate
CID 88510267
dimethyl 2,3,4,5-tetramethylhexa-2,4-dienedioate
CID 131887550
azane;methyl 2-propan-2-ylidenepentanoate
CID 174405729
octyl 3-ethyl-2-methylhex-2-enoate
CID 175495245
azane;methyl 2,3-dimethylpent-2-enoate;hydrochloride
CID 174493764

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-propylhex-2-enoate?
The IUPAC name of methyl 2-methyl-3-propylhex-2-enoate (CID 15856734) is methyl 2-methyl-3-propylhex-2-enoate.
What is the SMILES notation for methyl 2-methyl-3-propylhex-2-enoate?
The canonical SMILES for methyl 2-methyl-3-propylhex-2-enoate is CCCC(CCC)=C(C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-3-propylhex-2-enoate?
The InChIKey is ODVIUADNARLQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-7-10(8-6-2)9(3)11(12)13-4/h5-8H2,1-4H3.
What are the key properties of methyl 2-methyl-3-propylhex-2-enoate?
methyl 2-methyl-3-propylhex-2-enoate has a molecular weight of 184.28 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-propylhex-2-enoate is sourced from PubChem (CID 15856734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).