[(3R)-pent-1-en-3-yl] acetate

C7H12O2 — CID 92859949

IUPAC[(3R)-pent-1-en-3-yl] acetate
SMILESC=C[C@@H](CC)OC(C)=O
InChIInChI=1S/C7H12O2/c1-4-7(5-2)9-6(3)8/h4,7H,1,5H2,2-3H3/t7-/m0/s1
InChIKeyMRLKTTBPWZXARX-ZETCQYMHSA-N
MW128.17 g/mol
LogP1.51
Rot. Bonds3

About [(3R)-pent-1-en-3-yl] acetate

[(3R)-pent-1-en-3-yl] acetate (PubChem CID 92859949) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is [(3R)-pent-1-en-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-pent-1-en-3-yl] acetate
PubChem CID92859949
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name[(3R)-pent-1-en-3-yl] acetate
SMILESC=C[C@@H](CC)OC(C)=O
InChIInChI=1S/C7H12O2/c1-4-7(5-2)9-6(3)8/h4,7H,1,5H2,2-3H3/t7-/m0/s1
InChIKeyMRLKTTBPWZXARX-ZETCQYMHSA-N
XLogP1.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.51
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

1-chlorobut-3-en-2-yl acetate
CID 12671643
[(3R,7S)-7-acetyloxynona-1,8-dien-3-yl] acetate
CID 92532320
3-acetyloxypent-4-enoic acid
CID 72978320
3-acetyloxypent-4-enyl acetate
CID 12815001
undec-1-en-3-yl acetate
CID 3023472
6-iodohex-1-en-3-yl acetate
CID 10858470
pent-1-en-3-yl 2-(methylamino)acetate
CID 170207067
7-oxohept-1-en-3-yl acetate
CID 11052076
1-silylpropyl acetate
CID 173180610
[(3S)-14-oxotetradec-1-en-3-yl] acetate
CID 102173042
[(E,3S)-hept-4-en-6-yn-3-yl] acetate
CID 11499246
1-prop-2-enoxypropyl acetate
CID 142726831

Frequently Asked Questions

What is the IUPAC name of [(3R)-pent-1-en-3-yl] acetate?
The IUPAC name of [(3R)-pent-1-en-3-yl] acetate (CID 92859949) is [(3R)-pent-1-en-3-yl] acetate.
What is the SMILES notation for [(3R)-pent-1-en-3-yl] acetate?
The canonical SMILES for [(3R)-pent-1-en-3-yl] acetate is C=C[C@@H](CC)OC(C)=O.
What is the InChIKey of [(3R)-pent-1-en-3-yl] acetate?
The InChIKey is MRLKTTBPWZXARX-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12O2/c1-4-7(5-2)9-6(3)8/h4,7H,1,5H2,2-3H3/t7-/m0/s1.
What are the key properties of [(3R)-pent-1-en-3-yl] acetate?
[(3R)-pent-1-en-3-yl] acetate has a molecular weight of 128.17 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-pent-1-en-3-yl] acetate is sourced from PubChem (CID 92859949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).