methyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate

C10H18O2 — CID 10844880

IUPACmethyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate
SMILESC=C(C)[C@H](CC)[C@H](C)C(=O)OC
InChIInChI=1S/C10H18O2/c1-6-9(7(2)3)8(4)10(11)12-5/h8-9H,2,6H2,1,3-5H3/t8-,9-/m0/s1
InChIKeyFPDKFNNCZHPQOG-IUCAKERBSA-N
MW170.25 g/mol
LogP2.40
Rot. Bonds4

About methyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate

methyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate (PubChem CID 10844880) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is methyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate
PubChem CID10844880
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namemethyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate
SMILESC=C(C)[C@H](CC)[C@H](C)C(=O)OC
InChIInChI=1S/C10H18O2/c1-6-9(7(2)3)8(4)10(11)12-5/h8-9H,2,6H2,1,3-5H3/t8-,9-/m0/s1
InChIKeyFPDKFNNCZHPQOG-IUCAKERBSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.40
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 (2S,3R)-3-prop-1-en-2-yl-2-propylhexanoate
CID 10751049
methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate
CID 134904639
methyl (2S,3S)-3-amino-2-methylbutanoate
CID 55285448
diethyl 2-ethyl-3-methylbutanedioate
CID 19419903
methyl (2S,3S)-3-methyl-2-propan-2-ylpentanoate
CID 59686053
methyl (2R,3R)-2-ethyl-4-methyl-3-(phenylmethoxymethyl)pent-4-enoate
CID 10492730
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
ethyl 2-ethyl-3-hydroxy-4-methylpent-4-enoate
CID 66038588
1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate
CID 155641970
(4S)-2,3,4-trimethylhex-1-ene
CID 169204479
methyl 2-(2-methylprop-2-enoyloxy)butanoate
CID 88580256
methyl (2S,3R)-2-hydroxy-3-methylpentanoate
CID 13262415

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate?
The IUPAC name of methyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate (CID 10844880) is methyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate.
What is the SMILES notation for methyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate?
The canonical SMILES for methyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate is C=C(C)[C@H](CC)[C@H](C)C(=O)OC.
What is the InChIKey of methyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate?
The InChIKey is FPDKFNNCZHPQOG-IUCAKERBSA-N. The full InChI is InChI=1S/C10H18O2/c1-6-9(7(2)3)8(4)10(11)12-5/h8-9H,2,6H2,1,3-5H3/t8-,9-/m0/s1.
What are the key properties of methyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate?
methyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate has a molecular weight of 170.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate is sourced from PubChem (CID 10844880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).