pent-1-enyl 2-methylprop-2-enoate

C9H14O2 — CID 57100715

IUPACpent-1-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=CCCC
InChIInChI=1S/C9H14O2/c1-4-5-6-7-11-9(10)8(2)3/h6-7H,2,4-5H2,1,3H3
InChIKeyBQIVQQFTLJPGGJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.42
Rot. Bonds4

About pent-1-enyl 2-methylprop-2-enoate

pent-1-enyl 2-methylprop-2-enoate (PubChem CID 57100715) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is pent-1-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namepent-1-enyl 2-methylprop-2-enoate
PubChem CID57100715
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namepent-1-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=CCCC
InChIInChI=1S/C9H14O2/c1-4-5-6-7-11-9(10)8(2)3/h6-7H,2,4-5H2,1,3H3
InChIKeyBQIVQQFTLJPGGJ-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pent-1-enyl 2-methylprop-2-enoate?
The IUPAC name of pent-1-enyl 2-methylprop-2-enoate (CID 57100715) is pent-1-enyl 2-methylprop-2-enoate.
What is the SMILES notation for pent-1-enyl 2-methylprop-2-enoate?
The canonical SMILES for pent-1-enyl 2-methylprop-2-enoate is C=C(C)C(=O)OC=CCCC.
What is the InChIKey of pent-1-enyl 2-methylprop-2-enoate?
The InChIKey is BQIVQQFTLJPGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-5-6-7-11-9(10)8(2)3/h6-7H,2,4-5H2,1,3H3.
What are the key properties of pent-1-enyl 2-methylprop-2-enoate?
pent-1-enyl 2-methylprop-2-enoate has a molecular weight of 154.21 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 57100715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).