hexyl 2-(2-hydroxyethoxy)prop-2-enoate

C11H20O4 — CID 87769838

IUPAChexyl 2-(2-hydroxyethoxy)prop-2-enoate
SMILESC=C(OCCO)C(=O)OCCCCCC
InChIInChI=1S/C11H20O4/c1-3-4-5-6-8-15-11(13)10(2)14-9-7-12/h12H,2-9H2,1H3
InChIKeySZGKJOBRPUCPCQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.63
Rot. Bonds9

About hexyl 2-(2-hydroxyethoxy)prop-2-enoate

hexyl 2-(2-hydroxyethoxy)prop-2-enoate (PubChem CID 87769838) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is hexyl 2-(2-hydroxyethoxy)prop-2-enoate.

Molecular Properties

Compound Namehexyl 2-(2-hydroxyethoxy)prop-2-enoate
PubChem CID87769838
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namehexyl 2-(2-hydroxyethoxy)prop-2-enoate
SMILESC=C(OCCO)C(=O)OCCCCCC
InChIInChI=1S/C11H20O4/c1-3-4-5-6-8-15-11(13)10(2)14-9-7-12/h12H,2-9H2,1H3
InChIKeySZGKJOBRPUCPCQ-UHFFFAOYSA-N
XLogP1.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

octadecyl 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate
CID 87894967
propyl 2-octoxyprop-2-enoate
CID 139651501
2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 22757411
3-hydroxypropyl 2-(2-hydroxyethoxy)prop-2-enoate
CID 174525354
dioctyl 2,3-dimethylidenebutanedioate
CID 140613144
2-hydroxyethyl nonyl carbonate
CID 87512716
hexyl 2-hydroxyethyl carbonate
CID 57493507
1-O-decyl 4-O-octyl 2,3-dimethylidenebutanedioate
CID 139708320
butan-1-ol;heptyl 2-methylprop-2-enoate
CID 118690093
dodecyl 4-hydroxy-2-methylidenebutanoate
CID 161475812
4-O-(2-hydroxyethyl) 1-O-pentyl 2-methylidenebutanedioate
CID 159609621
ditridecyl oxalate
CID 18377796

Frequently Asked Questions

What is the IUPAC name of hexyl 2-(2-hydroxyethoxy)prop-2-enoate?
The IUPAC name of hexyl 2-(2-hydroxyethoxy)prop-2-enoate (CID 87769838) is hexyl 2-(2-hydroxyethoxy)prop-2-enoate.
What is the SMILES notation for hexyl 2-(2-hydroxyethoxy)prop-2-enoate?
The canonical SMILES for hexyl 2-(2-hydroxyethoxy)prop-2-enoate is C=C(OCCO)C(=O)OCCCCCC.
What is the InChIKey of hexyl 2-(2-hydroxyethoxy)prop-2-enoate?
The InChIKey is SZGKJOBRPUCPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-4-5-6-8-15-11(13)10(2)14-9-7-12/h12H,2-9H2,1H3.
What are the key properties of hexyl 2-(2-hydroxyethoxy)prop-2-enoate?
hexyl 2-(2-hydroxyethoxy)prop-2-enoate has a molecular weight of 216.28 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-(2-hydroxyethoxy)prop-2-enoate is sourced from PubChem (CID 87769838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).