methyl (E)-2-prop-2-enylhex-3-enoate

C10H16O2 — CID 12681346

IUPACmethyl (E)-2-prop-2-enylhex-3-enoate
SMILESC=CCC(/C=C/CC)C(=O)OC
InChIInChI=1S/C10H16O2/c1-4-6-8-9(7-5-2)10(11)12-3/h5-6,8-9H,2,4,7H2,1,3H3/b8-6+
InChIKeyMSDLBTXIQBUZBO-SOFGYWHQSA-N
MW168.24 g/mol
LogP2.32
Rot. Bonds5

About methyl (E)-2-prop-2-enylhex-3-enoate

methyl (E)-2-prop-2-enylhex-3-enoate (PubChem CID 12681346) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl (E)-2-prop-2-enylhex-3-enoate.

Molecular Properties

Compound Namemethyl (E)-2-prop-2-enylhex-3-enoate
PubChem CID12681346
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl (E)-2-prop-2-enylhex-3-enoate
SMILESC=CCC(/C=C/CC)C(=O)OC
InChIInChI=1S/C10H16O2/c1-4-6-8-9(7-5-2)10(11)12-3/h5-6,8-9H,2,4,7H2,1,3H3/b8-6+
InChIKeyMSDLBTXIQBUZBO-SOFGYWHQSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-prop-2-enylhex-3-enoate?
The IUPAC name of methyl (E)-2-prop-2-enylhex-3-enoate (CID 12681346) is methyl (E)-2-prop-2-enylhex-3-enoate.
What is the SMILES notation for methyl (E)-2-prop-2-enylhex-3-enoate?
The canonical SMILES for methyl (E)-2-prop-2-enylhex-3-enoate is C=CCC(/C=C/CC)C(=O)OC.
What is the InChIKey of methyl (E)-2-prop-2-enylhex-3-enoate?
The InChIKey is MSDLBTXIQBUZBO-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-6-8-9(7-5-2)10(11)12-3/h5-6,8-9H,2,4,7H2,1,3H3/b8-6+.
What are the key properties of methyl (E)-2-prop-2-enylhex-3-enoate?
methyl (E)-2-prop-2-enylhex-3-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-prop-2-enylhex-3-enoate is sourced from PubChem (CID 12681346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).