methyl 2-prop-1-enylidenehexanoate

C10H16O2 — CID 642286

IUPACmethyl 2-prop-1-enylidenehexanoate
SMILESCC=C=C(CCCC)C(=O)OC
InChIInChI=1S/C10H16O2/c1-4-6-8-9(7-5-2)10(11)12-3/h5H,4,6,8H2,1-3H3
InChIKeyNINGSWZYDYXXOV-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.45
Rot. Bonds4

About methyl 2-prop-1-enylidenehexanoate

methyl 2-prop-1-enylidenehexanoate (PubChem CID 642286) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl 2-prop-1-enylidenehexanoate.

Molecular Properties

Compound Namemethyl 2-prop-1-enylidenehexanoate
PubChem CID642286
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl 2-prop-1-enylidenehexanoate
SMILESCC=C=C(CCCC)C(=O)OC
InChIInChI=1S/C10H16O2/c1-4-6-8-9(7-5-2)10(11)12-3/h5H,4,6,8H2,1-3H3
InChIKeyNINGSWZYDYXXOV-UHFFFAOYSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-prop-1-enylidenehexanoate?
The IUPAC name of methyl 2-prop-1-enylidenehexanoate (CID 642286) is methyl 2-prop-1-enylidenehexanoate.
What is the SMILES notation for methyl 2-prop-1-enylidenehexanoate?
The canonical SMILES for methyl 2-prop-1-enylidenehexanoate is CC=C=C(CCCC)C(=O)OC.
What is the InChIKey of methyl 2-prop-1-enylidenehexanoate?
The InChIKey is NINGSWZYDYXXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-6-8-9(7-5-2)10(11)12-3/h5H,4,6,8H2,1-3H3.
What are the key properties of methyl 2-prop-1-enylidenehexanoate?
methyl 2-prop-1-enylidenehexanoate has a molecular weight of 168.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-prop-1-enylidenehexanoate is sourced from PubChem (CID 642286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).