2,3-dihydroxypropyl 2-propan-2-yltetradecanoate

C20H40O4 — CID 50906597

IUPAC2,3-dihydroxypropyl 2-propan-2-yltetradecanoate
SMILESCCCCCCCCCCCCC(C(=O)OCC(O)CO)C(C)C
InChIInChI=1S/C20H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-19(17(2)3)20(23)24-16-18(22)15-21/h17-19,21-22H,4-16H2,1-3H3
InChIKeyUZIOWISONSPFBZ-UHFFFAOYSA-N
MW344.54 g/mol
LogP4.47
Rot. Bonds16

About 2,3-dihydroxypropyl 2-propan-2-yltetradecanoate

2,3-dihydroxypropyl 2-propan-2-yltetradecanoate (PubChem CID 50906597) has the molecular formula C20H40O4 and a molecular weight of 344.54 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2-propan-2-yltetradecanoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 2-propan-2-yltetradecanoate
PubChem CID50906597
Molecular FormulaC20H40O4
Molecular Weight344.54 g/mol
Exact Mass344.29
IUPAC Name2,3-dihydroxypropyl 2-propan-2-yltetradecanoate
SMILESCCCCCCCCCCCCC(C(=O)OCC(O)CO)C(C)C
InChIInChI=1S/C20H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-19(17(2)3)20(23)24-16-18(22)15-21/h17-19,21-22H,4-16H2,1-3H3
InChIKeyUZIOWISONSPFBZ-UHFFFAOYSA-N
XLogP4.47
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxypropyl 2-butyl-3-hydroxyoctanoate
CID 87556423
2,3-dihydroxypropyl 2-methyltetradecanoate
CID 71388379
2,3-dihydroxypropyl 2-octylpentatriacontanoate
CID 174634384
2,3-dihydroxypropyl 2-hexadecylicosanoate
CID 175104838
2,3-dihydroxypropyl 2-ethyldodecanoate
CID 175496101
2,3-dihydroxypropyl 6-propan-2-ylhexadecanoate
CID 118542720
methyl 2-propan-2-yltetradecanoate
CID 118450856
2,3-dihydroxypropyl 2-hydroxyoctadecanoate;prop-1-ene
CID 158413236
2,3-dihydroxypropyl 2-decoxyoctanoate
CID 87107151
propan-2-yl 2-propan-2-yldecanoate
CID 175067066
2,3-dihydroxypropyl 2-hexadec-7-enylicos-11-enoate
CID 90771679
2-hydroxypropyl 3-hydroxy-2-tetradecyloctadecanoate
CID 174705074

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2-propan-2-yltetradecanoate?
The IUPAC name of 2,3-dihydroxypropyl 2-propan-2-yltetradecanoate (CID 50906597) is 2,3-dihydroxypropyl 2-propan-2-yltetradecanoate.
What is the SMILES notation for 2,3-dihydroxypropyl 2-propan-2-yltetradecanoate?
The canonical SMILES for 2,3-dihydroxypropyl 2-propan-2-yltetradecanoate is CCCCCCCCCCCCC(C(=O)OCC(O)CO)C(C)C.
What is the InChIKey of 2,3-dihydroxypropyl 2-propan-2-yltetradecanoate?
The InChIKey is UZIOWISONSPFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-19(17(2)3)20(23)24-16-18(22)15-21/h17-19,21-22H,4-16H2,1-3H3.
What are the key properties of 2,3-dihydroxypropyl 2-propan-2-yltetradecanoate?
2,3-dihydroxypropyl 2-propan-2-yltetradecanoate has a molecular weight of 344.54 g/mol, XLogP of 4.47, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 2-propan-2-yltetradecanoate is sourced from PubChem (CID 50906597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).