2-[(2S,3S,4R,5R)-2-decan-2-yl-4-methoxy-5-methyloxan-3-yl]oxyethanethiol

C19H38O3S — CID 22849308

IUPAC2-[(2S,3S,4R,5R)-2-decan-2-yl-4-methoxy-5-methyloxan-3-yl]oxyethanethiol
SMILESCCCCCCCCC(C)[C@@H]1OC[C@@H](C)[C@@H](OC)[C@@H]1OCCS
InChIInChI=1S/C19H38O3S/c1-5-6-7-8-9-10-11-15(2)18-19(21-12-13-23)17(20-4)16(3)14-22-18/h15-19,23H,5-14H2,1-4H3/t15?,16-,17-,18+,19+/m1/s1
InChIKeyYVRZCFYWUOTMEB-AMQUQFIOSA-N
MW346.58 g/mol
LogP4.74
Rot. Bonds12

About 2-[(2S,3S,4R,5R)-2-decan-2-yl-4-methoxy-5-methyloxan-3-yl]oxyethanethiol

2-[(2S,3S,4R,5R)-2-decan-2-yl-4-methoxy-5-methyloxan-3-yl]oxyethanethiol (PubChem CID 22849308) has the molecular formula C19H38O3S and a molecular weight of 346.58 g/mol. Its IUPAC name is 2-[(2S,3S,4R,5R)-2-decan-2-yl-4-methoxy-5-methyloxan-3-yl]oxyethanethiol.

Molecular Properties

Compound Name2-[(2S,3S,4R,5R)-2-decan-2-yl-4-methoxy-5-methyloxan-3-yl]oxyethanethiol
PubChem CID22849308
Molecular FormulaC19H38O3S
Molecular Weight346.58 g/mol
Exact Mass346.25
IUPAC Name2-[(2S,3S,4R,5R)-2-decan-2-yl-4-methoxy-5-methyloxan-3-yl]oxyethanethiol
SMILESCCCCCCCCC(C)[C@@H]1OC[C@@H](C)[C@@H](OC)[C@@H]1OCCS
InChIInChI=1S/C19H38O3S/c1-5-6-7-8-9-10-11-15(2)18-19(21-12-13-23)17(20-4)16(3)14-22-18/h15-19,23H,5-14H2,1-4H3/t15?,16-,17-,18+,19+/m1/s1
InChIKeyYVRZCFYWUOTMEB-AMQUQFIOSA-N
XLogP4.74
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[(2S,3S,4R,5R)-2-decan-2-yl-4-methoxy-5-methyloxan-3-yl]oxyethanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S,4R,5R)-2-decan-2-yl-4-methoxy-5-methyloxan-3-yl]oxyethanethiol?
The IUPAC name of 2-[(2S,3S,4R,5R)-2-decan-2-yl-4-methoxy-5-methyloxan-3-yl]oxyethanethiol (CID 22849308) is 2-[(2S,3S,4R,5R)-2-decan-2-yl-4-methoxy-5-methyloxan-3-yl]oxyethanethiol.
What is the SMILES notation for 2-[(2S,3S,4R,5R)-2-decan-2-yl-4-methoxy-5-methyloxan-3-yl]oxyethanethiol?
The canonical SMILES for 2-[(2S,3S,4R,5R)-2-decan-2-yl-4-methoxy-5-methyloxan-3-yl]oxyethanethiol is CCCCCCCCC(C)[C@@H]1OC[C@@H](C)[C@@H](OC)[C@@H]1OCCS.
What is the InChIKey of 2-[(2S,3S,4R,5R)-2-decan-2-yl-4-methoxy-5-methyloxan-3-yl]oxyethanethiol?
The InChIKey is YVRZCFYWUOTMEB-AMQUQFIOSA-N. The full InChI is InChI=1S/C19H38O3S/c1-5-6-7-8-9-10-11-15(2)18-19(21-12-13-23)17(20-4)16(3)14-22-18/h15-19,23H,5-14H2,1-4H3/t15?,16-,17-,18+,19+/m1/s1.
What are the key properties of 2-[(2S,3S,4R,5R)-2-decan-2-yl-4-methoxy-5-methyloxan-3-yl]oxyethanethiol?
2-[(2S,3S,4R,5R)-2-decan-2-yl-4-methoxy-5-methyloxan-3-yl]oxyethanethiol has a molecular weight of 346.58 g/mol, XLogP of 4.74, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S,4R,5R)-2-decan-2-yl-4-methoxy-5-methyloxan-3-yl]oxyethanethiol is sourced from PubChem (CID 22849308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).