(4R,6R)-4-[(1R)-1-hydroxyethyl]-6-tetradecyl-1,3-dioxan-2-one

C20H38O4 — CID 155933794

IUPAC(4R,6R)-4-[(1R)-1-hydroxyethyl]-6-tetradecyl-1,3-dioxan-2-one
SMILESCCCCCCCCCCCCCC[C@@H]1C[C@H]([C@@H](C)O)OC(=O)O1
InChIInChI=1S/C20H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-19(17(2)21)24-20(22)23-18/h17-19,21H,3-16H2,1-2H3/t17-,18-,19-/m1/s1
InChIKeyNQOYZMUBVYNFRM-GUDVDZBRSA-N
MW342.52 g/mol
LogP5.75
Rot. Bonds14

About (4R,6R)-4-[(1R)-1-hydroxyethyl]-6-tetradecyl-1,3-dioxan-2-one

(4R,6R)-4-[(1R)-1-hydroxyethyl]-6-tetradecyl-1,3-dioxan-2-one (PubChem CID 155933794) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is (4R,6R)-4-[(1R)-1-hydroxyethyl]-6-tetradecyl-1,3-dioxan-2-one.

Molecular Properties

Compound Name(4R,6R)-4-[(1R)-1-hydroxyethyl]-6-tetradecyl-1,3-dioxan-2-one
PubChem CID155933794
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Name(4R,6R)-4-[(1R)-1-hydroxyethyl]-6-tetradecyl-1,3-dioxan-2-one
SMILESCCCCCCCCCCCCCC[C@@H]1C[C@H]([C@@H](C)O)OC(=O)O1
InChIInChI=1S/C20H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-19(17(2)21)24-20(22)23-18/h17-19,21H,3-16H2,1-2H3/t17-,18-,19-/m1/s1
InChIKeyNQOYZMUBVYNFRM-GUDVDZBRSA-N
XLogP5.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R,6R)-4-(iodomethyl)-6-tridecyl-1,3-dioxan-2-one
CID 46830433
5-hexyl-3-hydroxyoxolan-2-one
CID 14303265
(4S)-4-octyl-1,3-dioxolan-2-one
CID 129382353
4-octadecyl-1,3-dioxolan-2-one
CID 139653097
(4R)-4-hexyl-1,3-dioxolan-2-one
CID 15403459
4-dodecyloxetan-2-one
CID 90110174
(3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one
CID 162965017
(3R,5S)-5-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one
CID 124879599
3-chloro-5-octyloxolan-2-one
CID 3017732
(3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one
CID 162927277
3-hexyl-4-hydroxy-6-undecyloxan-2-one
CID 10665857
4-hexyl-6-methylidene-1,3-dioxan-2-one
CID 89424996

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4-[(1R)-1-hydroxyethyl]-6-tetradecyl-1,3-dioxan-2-one?
The IUPAC name of (4R,6R)-4-[(1R)-1-hydroxyethyl]-6-tetradecyl-1,3-dioxan-2-one (CID 155933794) is (4R,6R)-4-[(1R)-1-hydroxyethyl]-6-tetradecyl-1,3-dioxan-2-one.
What is the SMILES notation for (4R,6R)-4-[(1R)-1-hydroxyethyl]-6-tetradecyl-1,3-dioxan-2-one?
The canonical SMILES for (4R,6R)-4-[(1R)-1-hydroxyethyl]-6-tetradecyl-1,3-dioxan-2-one is CCCCCCCCCCCCCC[C@@H]1C[C@H]([C@@H](C)O)OC(=O)O1.
What is the InChIKey of (4R,6R)-4-[(1R)-1-hydroxyethyl]-6-tetradecyl-1,3-dioxan-2-one?
The InChIKey is NQOYZMUBVYNFRM-GUDVDZBRSA-N. The full InChI is InChI=1S/C20H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-19(17(2)21)24-20(22)23-18/h17-19,21H,3-16H2,1-2H3/t17-,18-,19-/m1/s1.
What are the key properties of (4R,6R)-4-[(1R)-1-hydroxyethyl]-6-tetradecyl-1,3-dioxan-2-one?
(4R,6R)-4-[(1R)-1-hydroxyethyl]-6-tetradecyl-1,3-dioxan-2-one has a molecular weight of 342.52 g/mol, XLogP of 5.75, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4-[(1R)-1-hydroxyethyl]-6-tetradecyl-1,3-dioxan-2-one is sourced from PubChem (CID 155933794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).