[(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate

C18H34O3 — CID 99121360

IUPAC[(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[C@H](O)CCCCCCCCCCCC
InChIInChI=1S/C18H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-17(19)15-21-18(20)16(2)3/h17,19H,2,4-15H2,1,3H3/t17-/m1/s1
InChIKeyRLWDMMUWHLHTBF-QGZVFWFLSA-N
MW298.47 g/mol
LogP4.78
Rot. Bonds14

About [(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate

[(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate (PubChem CID 99121360) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is [(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate
PubChem CID99121360
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name[(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[C@H](O)CCCCCCCCCCCC
InChIInChI=1S/C18H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-17(19)15-21-18(20)16(2)3/h17,19H,2,4-15H2,1,3H3/t17-/m1/s1
InChIKeyRLWDMMUWHLHTBF-QGZVFWFLSA-N
XLogP4.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.78
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'}

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Related Compounds

2-hexadecyldocosyl 2-methylprop-2-enoate
CID 140764286
2-heptylundecyl 2-methylprop-2-enoate
CID 90816570
2,3-dihydroxypropyl 2-methylprop-2-enoate;2-hydroxyoctadecanoic acid
CID 53470723
2-hydroxytridecyl acetate
CID 170716401
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
CID 87149420
2-cyanooctyl 2-methylprop-2-enoate
CID 139633451
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
3-methylhexadecyl 2-methylprop-2-enoate
CID 140601644
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate
CID 150627541
2-(tripropoxymethyl)decyl 2-methylprop-2-enoate
CID 151527523
2-hydroxydodecyl hexadecanoate
CID 150178646

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate?
The IUPAC name of [(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate (CID 99121360) is [(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate.
What is the SMILES notation for [(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate?
The canonical SMILES for [(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC[C@H](O)CCCCCCCCCCCC.
What is the InChIKey of [(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate?
The InChIKey is RLWDMMUWHLHTBF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-17(19)15-21-18(20)16(2)3/h17,19H,2,4-15H2,1,3H3/t17-/m1/s1.
What are the key properties of [(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate?
[(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate has a molecular weight of 298.47 g/mol, XLogP of 4.78, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate is sourced from PubChem (CID 99121360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).