pent-3-en-2-yl 2,2-dimethylpropanoate

C10H18O2 — CID 71349437

IUPACpent-3-en-2-yl 2,2-dimethylpropanoate
SMILESCC=CC(C)OC(=O)C(C)(C)C
InChIInChI=1S/C10H18O2/c1-6-7-8(2)12-9(11)10(3,4)5/h6-8H,1-5H3
InChIKeyXEDGXKSZXWYGQQ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.54
Rot. Bonds2

About pent-3-en-2-yl 2,2-dimethylpropanoate

pent-3-en-2-yl 2,2-dimethylpropanoate (PubChem CID 71349437) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is pent-3-en-2-yl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namepent-3-en-2-yl 2,2-dimethylpropanoate
PubChem CID71349437
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namepent-3-en-2-yl 2,2-dimethylpropanoate
SMILESCC=CC(C)OC(=O)C(C)(C)C
InChIInChI=1S/C10H18O2/c1-6-7-8(2)12-9(11)10(3,4)5/h6-8H,1-5H3
InChIKeyXEDGXKSZXWYGQQ-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.54
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-oxopropan-2-yl 2,2-dimethylpropanoate
CID 87537011
[(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate
CID 100943003
[(E)-pent-3-en-2-yl] (E)-but-2-enoate
CID 14910863
[(3E,5E)-2-deuteriohepta-3,5-dien-2-yl] 2,2-dimethylpropanoate
CID 14712011
[(E,2S)-pent-3-en-2-yl] (E,3S)-3-methylhex-4-enoate
CID 10976411
[(1S)-1-chloroethyl] 2,2-dimethylpropanoate
CID 92939031
diaminomethyl 2,2-dimethylpropanoate
CID 163435332
[(2S)-1-chloro-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 18639920
[(2R)-1-(2,2-dimethylpropanoyloxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 59581101
1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate
CID 59371128
[(Z)-pent-3-en-2-yl] hex-2-ynoate
CID 11435299
[(Z,2R)-pent-3-en-2-yl] hex-2-ynoate
CID 11148078

Frequently Asked Questions

What is the IUPAC name of pent-3-en-2-yl 2,2-dimethylpropanoate?
The IUPAC name of pent-3-en-2-yl 2,2-dimethylpropanoate (CID 71349437) is pent-3-en-2-yl 2,2-dimethylpropanoate.
What is the SMILES notation for pent-3-en-2-yl 2,2-dimethylpropanoate?
The canonical SMILES for pent-3-en-2-yl 2,2-dimethylpropanoate is CC=CC(C)OC(=O)C(C)(C)C.
What is the InChIKey of pent-3-en-2-yl 2,2-dimethylpropanoate?
The InChIKey is XEDGXKSZXWYGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-6-7-8(2)12-9(11)10(3,4)5/h6-8H,1-5H3.
What are the key properties of pent-3-en-2-yl 2,2-dimethylpropanoate?
pent-3-en-2-yl 2,2-dimethylpropanoate has a molecular weight of 170.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-3-en-2-yl 2,2-dimethylpropanoate is sourced from PubChem (CID 71349437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).