(5R)-5-[(1S)-2-dodecoxy-1-hydroxyethyl]-4-hydroxyoxolane-2,3-dione

C18H32O6 — CID 91294159

IUPAC(5R)-5-[(1S)-2-dodecoxy-1-hydroxyethyl]-4-hydroxyoxolane-2,3-dione
SMILESCCCCCCCCCCCCOC[C@H](O)[C@H]1OC(=O)C(=O)C1O
InChIInChI=1S/C18H32O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-13-14(19)17-15(20)16(21)18(22)24-17/h14-15,17,19-20H,2-13H2,1H3/t14-,15?,17+/m0/s1
InChIKeyJNMWJOYRULLGHB-XJIUDMAQSA-N
MW344.45 g/mol
LogP2.14
Rot. Bonds14

About (5R)-5-[(1S)-2-dodecoxy-1-hydroxyethyl]-4-hydroxyoxolane-2,3-dione

(5R)-5-[(1S)-2-dodecoxy-1-hydroxyethyl]-4-hydroxyoxolane-2,3-dione (PubChem CID 91294159) has the molecular formula C18H32O6 and a molecular weight of 344.45 g/mol. Its IUPAC name is (5R)-5-[(1S)-2-dodecoxy-1-hydroxyethyl]-4-hydroxyoxolane-2,3-dione.

Molecular Properties

Compound Name(5R)-5-[(1S)-2-dodecoxy-1-hydroxyethyl]-4-hydroxyoxolane-2,3-dione
PubChem CID91294159
Molecular FormulaC18H32O6
Molecular Weight344.45 g/mol
Exact Mass344.22
IUPAC Name(5R)-5-[(1S)-2-dodecoxy-1-hydroxyethyl]-4-hydroxyoxolane-2,3-dione
SMILESCCCCCCCCCCCCOC[C@H](O)[C@H]1OC(=O)C(=O)C1O
InChIInChI=1S/C18H32O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-13-14(19)17-15(20)16(21)18(22)24-17/h14-15,17,19-20H,2-13H2,1H3/t14-,15?,17+/m0/s1
InChIKeyJNMWJOYRULLGHB-XJIUDMAQSA-N
XLogP2.14
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5R)-5-[(1S)-2-dodecoxy-1-hydroxyethyl]-4-hydroxyoxolane-2,3-dione 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

D-Glucoheptono-1,4-lactone
CID 108880
L-xylo-Hex-2-ulono-1,4-lactone
CID 439966
L-Rhamnono-1,4-lactone
CID 5460219
L-xylo-hex-3-ulonolactone
CID 5461125
GlyTouCan:G74844RU
CID 9888239
6-Deoxy-L-galactonolactone
CID 242516
(5R)-5-[(1R)-2-decoxy-1-hydroxyethyl]oxolan-2-one
CID 16092490
Tetradecanoic acid 2-hydroxy-1-(5-oxo-tetrahydro-furan-2-yl)-ethyl ester
CID 44338676
3,4-Dihydroxy-5-(1,2,3-trihydroxypropyl)oxolan-2-one
CID 78942
3,4-Dihydroxy-5-(1,2,3,4-tetrahydroxybutyl)oxolan-2-one
CID 219893
L-xylo-hex-3-ulono-1,4-lactone
CID 7048614
L-fucono-1,4-lactone
CID 90439

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S)-2-dodecoxy-1-hydroxyethyl]-4-hydroxyoxolane-2,3-dione?
The IUPAC name of (5R)-5-[(1S)-2-dodecoxy-1-hydroxyethyl]-4-hydroxyoxolane-2,3-dione (CID 91294159) is (5R)-5-[(1S)-2-dodecoxy-1-hydroxyethyl]-4-hydroxyoxolane-2,3-dione.
What is the SMILES notation for (5R)-5-[(1S)-2-dodecoxy-1-hydroxyethyl]-4-hydroxyoxolane-2,3-dione?
The canonical SMILES for (5R)-5-[(1S)-2-dodecoxy-1-hydroxyethyl]-4-hydroxyoxolane-2,3-dione is CCCCCCCCCCCCOC[C@H](O)[C@H]1OC(=O)C(=O)C1O.
What is the InChIKey of (5R)-5-[(1S)-2-dodecoxy-1-hydroxyethyl]-4-hydroxyoxolane-2,3-dione?
The InChIKey is JNMWJOYRULLGHB-XJIUDMAQSA-N. The full InChI is InChI=1S/C18H32O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-13-14(19)17-15(20)16(21)18(22)24-17/h14-15,17,19-20H,2-13H2,1H3/t14-,15?,17+/m0/s1.
What are the key properties of (5R)-5-[(1S)-2-dodecoxy-1-hydroxyethyl]-4-hydroxyoxolane-2,3-dione?
(5R)-5-[(1S)-2-dodecoxy-1-hydroxyethyl]-4-hydroxyoxolane-2,3-dione has a molecular weight of 344.45 g/mol, XLogP of 2.14, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S)-2-dodecoxy-1-hydroxyethyl]-4-hydroxyoxolane-2,3-dione is sourced from PubChem (CID 91294159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).