hex-5-enyl 2-methylprop-2-enoate

C10H16O2 — CID 18372053

IUPAChex-5-enyl 2-methylprop-2-enoate
SMILESC=CCCCCOC(=O)C(=C)C
InChIInChI=1S/C10H16O2/c1-4-5-6-7-8-12-10(11)9(2)3/h4H,1-2,5-8H2,3H3
InChIKeyZUCFWTOISZTECG-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds6

About hex-5-enyl 2-methylprop-2-enoate

hex-5-enyl 2-methylprop-2-enoate (PubChem CID 18372053) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is hex-5-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namehex-5-enyl 2-methylprop-2-enoate
PubChem CID18372053
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namehex-5-enyl 2-methylprop-2-enoate
SMILESC=CCCCCOC(=O)C(=C)C
InChIInChI=1S/C10H16O2/c1-4-5-6-7-8-12-10(11)9(2)3/h4H,1-2,5-8H2,3H3
InChIKeyZUCFWTOISZTECG-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hex-5-enyl 2-methylprop-2-enoate?
The IUPAC name of hex-5-enyl 2-methylprop-2-enoate (CID 18372053) is hex-5-enyl 2-methylprop-2-enoate.
What is the SMILES notation for hex-5-enyl 2-methylprop-2-enoate?
The canonical SMILES for hex-5-enyl 2-methylprop-2-enoate is C=CCCCCOC(=O)C(=C)C.
What is the InChIKey of hex-5-enyl 2-methylprop-2-enoate?
The InChIKey is ZUCFWTOISZTECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-5-6-7-8-12-10(11)9(2)3/h4H,1-2,5-8H2,3H3.
What are the key properties of hex-5-enyl 2-methylprop-2-enoate?
hex-5-enyl 2-methylprop-2-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 18372053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).