2-hydroxypropyl 2-methylpentadec-2-enoate

C19H36O3 — CID 57297679

IUPAC2-hydroxypropyl 2-methylpentadec-2-enoate
SMILESCCCCCCCCCCCCC=C(C)C(=O)OCC(C)O
InChIInChI=1S/C19H36O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(2)19(21)22-16-18(3)20/h15,18,20H,4-14,16H2,1-3H3
InChIKeyKHYYYFCIIRBGBS-UHFFFAOYSA-N
MW312.49 g/mol
LogP5.17
Rot. Bonds14

About 2-hydroxypropyl 2-methylpentadec-2-enoate

2-hydroxypropyl 2-methylpentadec-2-enoate (PubChem CID 57297679) has the molecular formula C19H36O3 and a molecular weight of 312.49 g/mol. Its IUPAC name is 2-hydroxypropyl 2-methylpentadec-2-enoate.

Molecular Properties

Compound Name2-hydroxypropyl 2-methylpentadec-2-enoate
PubChem CID57297679
Molecular FormulaC19H36O3
Molecular Weight312.49 g/mol
Exact Mass312.27
IUPAC Name2-hydroxypropyl 2-methylpentadec-2-enoate
SMILESCCCCCCCCCCCCC=C(C)C(=O)OCC(C)O
InChIInChI=1S/C19H36O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(2)19(21)22-16-18(3)20/h15,18,20H,4-14,16H2,1-3H3
InChIKeyKHYYYFCIIRBGBS-UHFFFAOYSA-N
XLogP5.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxypropyl 2-methylpentadec-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

heptyl 2-methylhexadec-2-enoate
CID 174820936
dodecyl 2-methylhenicos-2-enoate
CID 57172953
propyl 2-methyltridec-2-enoate
CID 174821186
heptyl 2-methylundec-2-enoate
CID 174231744
icosyl 2-methyltricos-2-enoate
CID 90881383
nonyl 2-methylnon-2-enoate
CID 175301846
2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
amino 2-methylpentadec-2-enoate;hydrochloride
CID 174293023
2-hydroxypropyl 5-hydroxy-2-methylhept-2-enoate
CID 57065563
2-(2-methylprop-2-enoyloxy)ethyl 2-methylheptadec-2-enoate
CID 175232139
methyl 2-methyloct-2-enoate
CID 71403822
[(2S,3R)-3,4-dihydroxy-2-(2-methylprop-2-enoyloxy)butyl] 2-methyloct-2-enoate
CID 91584532

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl 2-methylpentadec-2-enoate?
The IUPAC name of 2-hydroxypropyl 2-methylpentadec-2-enoate (CID 57297679) is 2-hydroxypropyl 2-methylpentadec-2-enoate.
What is the SMILES notation for 2-hydroxypropyl 2-methylpentadec-2-enoate?
The canonical SMILES for 2-hydroxypropyl 2-methylpentadec-2-enoate is CCCCCCCCCCCCC=C(C)C(=O)OCC(C)O.
What is the InChIKey of 2-hydroxypropyl 2-methylpentadec-2-enoate?
The InChIKey is KHYYYFCIIRBGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(2)19(21)22-16-18(3)20/h15,18,20H,4-14,16H2,1-3H3.
What are the key properties of 2-hydroxypropyl 2-methylpentadec-2-enoate?
2-hydroxypropyl 2-methylpentadec-2-enoate has a molecular weight of 312.49 g/mol, XLogP of 5.17, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl 2-methylpentadec-2-enoate is sourced from PubChem (CID 57297679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).