2-methylpropyl 2-methylhex-4-enoate

C11H20O2 — CID 141352249

IUPAC2-methylpropyl 2-methylhex-4-enoate
SMILESCC=CCC(C)C(=O)OCC(C)C
InChIInChI=1S/C11H20O2/c1-5-6-7-10(4)11(12)13-8-9(2)3/h5-6,9-10H,7-8H2,1-4H3
InChIKeySIFCGTOVKICWNF-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.79
Rot. Bonds5

About 2-methylpropyl 2-methylhex-4-enoate

2-methylpropyl 2-methylhex-4-enoate (PubChem CID 141352249) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methylpropyl 2-methylhex-4-enoate.

Molecular Properties

Compound Name2-methylpropyl 2-methylhex-4-enoate
PubChem CID141352249
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methylpropyl 2-methylhex-4-enoate
SMILESCC=CCC(C)C(=O)OCC(C)C
InChIInChI=1S/C11H20O2/c1-5-6-7-10(4)11(12)13-8-9(2)3/h5-6,9-10H,7-8H2,1-4H3
InChIKeySIFCGTOVKICWNF-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl (4Z,7Z)-2-methyldeca-4,7-dienoate
CID 135224834
(E)-2-methylhex-4-enamide
CID 126589197
2-methylpropyl 3-hydroxy-2-methylpropanoate
CID 14114444
4-methyloct-6-en-3-one
CID 73301984
calcium;hydride;3-methylhept-5-en-2-one
CID 175109385
bis(2-methylpropyl) butanedioate;prop-1-ene
CID 159366466
ethyl (Z)-2-methylhept-5-enoate
CID 88926981
2-methylpropyl 2,5-dimethylhex-5-enoate
CID 162502138
(Z,2S)-2-aminohex-4-enoic acid
CID 91998876
dipropan-2-yl 2-[(E)-but-2-enyl]propanedioate
CID 103972693
but-2-enyl 2-methylbutanoate
CID 3024251
methyl (E,2R)-2-methyl-6-oxohept-4-enoate
CID 125475561

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-methylhex-4-enoate?
The IUPAC name of 2-methylpropyl 2-methylhex-4-enoate (CID 141352249) is 2-methylpropyl 2-methylhex-4-enoate.
What is the SMILES notation for 2-methylpropyl 2-methylhex-4-enoate?
The canonical SMILES for 2-methylpropyl 2-methylhex-4-enoate is CC=CCC(C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-methylhex-4-enoate?
The InChIKey is SIFCGTOVKICWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-6-7-10(4)11(12)13-8-9(2)3/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 2-methylpropyl 2-methylhex-4-enoate?
2-methylpropyl 2-methylhex-4-enoate has a molecular weight of 184.28 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-methylhex-4-enoate is sourced from PubChem (CID 141352249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).