2-hydroxyethyl dec-9-enoate

C12H22O3 — CID 87084822

IUPAC2-hydroxyethyl dec-9-enoate
SMILESC=CCCCCCCCC(=O)OCCO
InChIInChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-12(14)15-11-10-13/h2,13H,1,3-11H2
InChIKeyZVJNTSXDXZRCLA-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.44
Rot. Bonds10

About 2-hydroxyethyl dec-9-enoate

2-hydroxyethyl dec-9-enoate (PubChem CID 87084822) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-hydroxyethyl dec-9-enoate.

Molecular Properties

Compound Name2-hydroxyethyl dec-9-enoate
PubChem CID87084822
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-hydroxyethyl dec-9-enoate
SMILESC=CCCCCCCCC(=O)OCCO
InChIInChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-12(14)15-11-10-13/h2,13H,1,3-11H2
InChIKeyZVJNTSXDXZRCLA-UHFFFAOYSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
but-3-enyl hept-6-enoate
CID 86101121
bis(pent-4-enyl) decanedioate
CID 91694638
bis(2-hydroxyethyl) heptanedioate
CID 58519890
bis(2-hydroxyethyl) decanedioate
CID 14094566
undec-10-enyl 7-undec-10-enoxyheptanoate
CID 140771622
azane;2-methoxyethyl undec-10-enoate
CID 174560084
2-[bis(2-dec-9-enoyloxyethyl)amino]ethyl dec-9-enoate
CID 140814246
hexyl oct-7-enoate
CID 91748282
hept-6-enyl hexacosanoate
CID 102118795
heptyl hept-6-enoate
CID 129220829
hept-6-enyl nonanoate
CID 146588194

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl dec-9-enoate?
The IUPAC name of 2-hydroxyethyl dec-9-enoate (CID 87084822) is 2-hydroxyethyl dec-9-enoate.
What is the SMILES notation for 2-hydroxyethyl dec-9-enoate?
The canonical SMILES for 2-hydroxyethyl dec-9-enoate is C=CCCCCCCCC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl dec-9-enoate?
The InChIKey is ZVJNTSXDXZRCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-12(14)15-11-10-13/h2,13H,1,3-11H2.
What are the key properties of 2-hydroxyethyl dec-9-enoate?
2-hydroxyethyl dec-9-enoate has a molecular weight of 214.30 g/mol, XLogP of 2.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl dec-9-enoate is sourced from PubChem (CID 87084822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).