[(3S)-2-methylpent-1-en-3-yl] acetate

C8H14O2 — CID 129390449

IUPAC[(3S)-2-methylpent-1-en-3-yl] acetate
SMILESC=C(C)[C@H](CC)OC(C)=O
InChIInChI=1S/C8H14O2/c1-5-8(6(2)3)10-7(4)9/h8H,2,5H2,1,3-4H3/t8-/m0/s1
InChIKeyCFDAXOHZQABZJU-QMMMGPOBSA-N
MW142.20 g/mol
LogP1.90
Rot. Bonds3

About [(3S)-2-methylpent-1-en-3-yl] acetate

[(3S)-2-methylpent-1-en-3-yl] acetate (PubChem CID 129390449) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is [(3S)-2-methylpent-1-en-3-yl] acetate.

Molecular Properties

Compound Name[(3S)-2-methylpent-1-en-3-yl] acetate
PubChem CID129390449
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name[(3S)-2-methylpent-1-en-3-yl] acetate
SMILESC=C(C)[C@H](CC)OC(C)=O
InChIInChI=1S/C8H14O2/c1-5-8(6(2)3)10-7(4)9/h8H,2,5H2,1,3-4H3/t8-/m0/s1
InChIKeyCFDAXOHZQABZJU-QMMMGPOBSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.90
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

[(2R)-1-bromo-3-methylbut-3-en-2-yl] acetate
CID 124704197
2-acetyloxybutanoic acid
CID 13327294
1,1,2-trichloropent-1-en-3-yl acetate
CID 88729244
propyl 2-acetyloxybutanoate
CID 141161519
[(3R)-4-ethenylideneoctan-3-yl] acetate
CID 101219632
2,6-dimethylocta-1,7-dien-3-yl acetate
CID 521972
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
(6-acetyloxy-3,7-dimethyloct-7-enyl) acetate
CID 14267230
(E)-4-acetyloxy-2-hydroxyhex-2-ene-3-diazonium
CID 11816264
1-silylpropyl acetate
CID 173180610
1-hydroxypropyl acetate
CID 21275092
[(2R,3R)-2-bromopentan-3-yl] acetate
CID 139645708

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-methylpent-1-en-3-yl] acetate?
The IUPAC name of [(3S)-2-methylpent-1-en-3-yl] acetate (CID 129390449) is [(3S)-2-methylpent-1-en-3-yl] acetate.
What is the SMILES notation for [(3S)-2-methylpent-1-en-3-yl] acetate?
The canonical SMILES for [(3S)-2-methylpent-1-en-3-yl] acetate is C=C(C)[C@H](CC)OC(C)=O.
What is the InChIKey of [(3S)-2-methylpent-1-en-3-yl] acetate?
The InChIKey is CFDAXOHZQABZJU-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-8(6(2)3)10-7(4)9/h8H,2,5H2,1,3-4H3/t8-/m0/s1.
What are the key properties of [(3S)-2-methylpent-1-en-3-yl] acetate?
[(3S)-2-methylpent-1-en-3-yl] acetate has a molecular weight of 142.20 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-methylpent-1-en-3-yl] acetate is sourced from PubChem (CID 129390449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).