pent-2-en-2-yl formate

C6H10O2 — CID 54239805

IUPACpent-2-en-2-yl formate
SMILESCCC=C(C)OC=O
InChIInChI=1S/C6H10O2/c1-3-4-6(2)8-5-7/h4-5H,3H2,1-2H3
InChIKeyAQZOZQXXUIKKOS-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.47
Rot. Bonds3

About pent-2-en-2-yl formate

pent-2-en-2-yl formate (PubChem CID 54239805) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is pent-2-en-2-yl formate.

Molecular Properties

Compound Namepent-2-en-2-yl formate
PubChem CID54239805
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Namepent-2-en-2-yl formate
SMILESCCC=C(C)OC=O
InChIInChI=1S/C6H10O2/c1-3-4-6(2)8-5-7/h4-5H,3H2,1-2H3
InChIKeyAQZOZQXXUIKKOS-UHFFFAOYSA-N
XLogP1.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

bis[(E)-pent-2-en-2-yl] carbonate
CID 89437425
[(E)-pent-2-en-2-yl] acetate
CID 12958660
(E,2R)-2,3-dimethylhex-3-enal
CID 88870284
(Z)-2-propan-2-yloxypent-2-ene
CID 145137792
(E)-2-[(2-methylpropan-2-yl)oxy]pent-2-ene
CID 143560421
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate
CID 143198553
(E,2R)-3-methylhex-3-en-2-amine
CID 146859099
(Z)-4,5-dimethylhept-3-ene
CID 142511472
formyl acetate;trihydrate
CID 174475141
azane;formyl acetate
CID 87373456
2-(2-methoxypropan-2-yloxy)pent-2-ene
CID 90956610
(E)-N-ethyl-N,3-dimethylhex-3-en-2-amine
CID 163431483

Frequently Asked Questions

What is the IUPAC name of pent-2-en-2-yl formate?
The IUPAC name of pent-2-en-2-yl formate (CID 54239805) is pent-2-en-2-yl formate.
What is the SMILES notation for pent-2-en-2-yl formate?
The canonical SMILES for pent-2-en-2-yl formate is CCC=C(C)OC=O.
What is the InChIKey of pent-2-en-2-yl formate?
The InChIKey is AQZOZQXXUIKKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-4-6(2)8-5-7/h4-5H,3H2,1-2H3.
What are the key properties of pent-2-en-2-yl formate?
pent-2-en-2-yl formate has a molecular weight of 114.14 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-2-en-2-yl formate is sourced from PubChem (CID 54239805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).