1,2-dihydroxypropan-2-yl tetradecanoate

C17H34O4 — CID 126666152

IUPAC1,2-dihydroxypropan-2-yl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(C)(O)CO
InChIInChI=1S/C17H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)21-17(2,20)15-18/h18,20H,3-15H2,1-2H3
InChIKeyMZCDKGKHIBARAA-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.93
Rot. Bonds14

About 1,2-dihydroxypropan-2-yl tetradecanoate

1,2-dihydroxypropan-2-yl tetradecanoate (PubChem CID 126666152) has the molecular formula C17H34O4 and a molecular weight of 302.45 g/mol. Its IUPAC name is 1,2-dihydroxypropan-2-yl tetradecanoate.

Molecular Properties

Compound Name1,2-dihydroxypropan-2-yl tetradecanoate
PubChem CID126666152
Molecular FormulaC17H34O4
Molecular Weight302.45 g/mol
Exact Mass302.25
IUPAC Name1,2-dihydroxypropan-2-yl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(C)(O)CO
InChIInChI=1S/C17H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)21-17(2,20)15-18/h18,20H,3-15H2,1-2H3
InChIKeyMZCDKGKHIBARAA-UHFFFAOYSA-N
XLogP3.93
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trihydroxypropan-2-yl hexadecanoate
CID 87428580
azane;(3-hydroxy-2,3-dimethylbutan-2-yl) octanoate
CID 87187360
tert-butyl octacosanoate
CID 174872722
2-(dihydroxyamino)butan-2-yl octadecanoate
CID 87454646
tert-butyl decanoate;hydrobromide
CID 172791977
butane;tert-butyl nonanoate
CID 175191905
tert-butyl decanoate;hydrochloride
CID 172828660
tert-butyl dodecanoate;hydrate
CID 159574999
1,1-diaminoethyl octadecanoate
CID 18692830
2-fluoropropan-2-yl hexadecanoate
CID 175252629
(1,5-dihydroxy-3-methylpentan-3-yl) tetradecanoate
CID 102118661
9-methylnonadecan-9-yl octadecanoate
CID 87086259

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxypropan-2-yl tetradecanoate?
The IUPAC name of 1,2-dihydroxypropan-2-yl tetradecanoate (CID 126666152) is 1,2-dihydroxypropan-2-yl tetradecanoate.
What is the SMILES notation for 1,2-dihydroxypropan-2-yl tetradecanoate?
The canonical SMILES for 1,2-dihydroxypropan-2-yl tetradecanoate is CCCCCCCCCCCCCC(=O)OC(C)(O)CO.
What is the InChIKey of 1,2-dihydroxypropan-2-yl tetradecanoate?
The InChIKey is MZCDKGKHIBARAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)21-17(2,20)15-18/h18,20H,3-15H2,1-2H3.
What are the key properties of 1,2-dihydroxypropan-2-yl tetradecanoate?
1,2-dihydroxypropan-2-yl tetradecanoate has a molecular weight of 302.45 g/mol, XLogP of 3.93, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxypropan-2-yl tetradecanoate is sourced from PubChem (CID 126666152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).