methyl (2S)-2-ethyl-2-propylpent-4-enoate

C11H20O2 — CID 642266

IUPACmethyl (2S)-2-ethyl-2-propylpent-4-enoate
SMILESC=CC[C@](CC)(CCC)C(=O)OC
InChIInChI=1S/C11H20O2/c1-5-8-11(7-3,9-6-2)10(12)13-4/h5H,1,6-9H2,2-4H3/t11-/m1/s1
InChIKeyPTIVSMOGVWVKBS-LLVKDONJSA-N
MW184.28 g/mol
LogP2.93
Rot. Bonds6

About methyl (2S)-2-ethyl-2-propylpent-4-enoate

methyl (2S)-2-ethyl-2-propylpent-4-enoate (PubChem CID 642266) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is methyl (2S)-2-ethyl-2-propylpent-4-enoate.

Molecular Properties

Compound Namemethyl (2S)-2-ethyl-2-propylpent-4-enoate
PubChem CID642266
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namemethyl (2S)-2-ethyl-2-propylpent-4-enoate
SMILESC=CC[C@](CC)(CCC)C(=O)OC
InChIInChI=1S/C11H20O2/c1-5-8-11(7-3,9-6-2)10(12)13-4/h5H,1,6-9H2,2-4H3/t11-/m1/s1
InChIKeyPTIVSMOGVWVKBS-LLVKDONJSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.93
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

methyl 2-ethyl-2-(nitromethyl)pent-4-enoate
CID 12936805
methyl 2-ethyl-2-methylpent-4-enoate
CID 14714437
methyl (2S)-2-amino-2-methylpent-4-enoate
CID 10261200
methyl 2-[(dimethylamino)methyl]-2-propylpentanoate
CID 10846364
methyl (2S)-2-(aziridin-1-yl)-2-methylpent-4-enoate
CID 163655825
silyl 2-ethyl-2-propylpentanoate
CID 173274588
methyl 5-amino-2,2-diethylpentanoate
CID 18784900
methyl 2-butyl-2-(hydroxymethyl)hexanoate
CID 175319412
methyl 2-(hydroxymethyl)-2-methylpent-4-enoate
CID 18728417
tetramethyl (6E)-dodeca-1,6,11-triene-3,3,8,8-tetracarboxylate
CID 11349994
methyl 2,2-dipropylhex-4-ynoate
CID 57142462
λ2-stannane;methyl 2,2-dibutylhexanoate
CID 174859558

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-ethyl-2-propylpent-4-enoate?
The IUPAC name of methyl (2S)-2-ethyl-2-propylpent-4-enoate (CID 642266) is methyl (2S)-2-ethyl-2-propylpent-4-enoate.
What is the SMILES notation for methyl (2S)-2-ethyl-2-propylpent-4-enoate?
The canonical SMILES for methyl (2S)-2-ethyl-2-propylpent-4-enoate is C=CC[C@](CC)(CCC)C(=O)OC.
What is the InChIKey of methyl (2S)-2-ethyl-2-propylpent-4-enoate?
The InChIKey is PTIVSMOGVWVKBS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-8-11(7-3,9-6-2)10(12)13-4/h5H,1,6-9H2,2-4H3/t11-/m1/s1.
What are the key properties of methyl (2S)-2-ethyl-2-propylpent-4-enoate?
methyl (2S)-2-ethyl-2-propylpent-4-enoate has a molecular weight of 184.28 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-ethyl-2-propylpent-4-enoate is sourced from PubChem (CID 642266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).