methyl (3R,5R)-3-hydroxy-5-(oxan-2-yloxy)decanoate

C16H30O5 — CID 71747223

IUPACmethyl (3R,5R)-3-hydroxy-5-(oxan-2-yloxy)decanoate
SMILESCCCCC[C@H](C[C@@H](O)CC(=O)OC)OC1CCCCO1
InChIInChI=1S/C16H30O5/c1-3-4-5-8-14(11-13(17)12-15(18)19-2)21-16-9-6-7-10-20-16/h13-14,16-17H,3-12H2,1-2H3/t13-,14-,16?/m1/s1
InChIKeyKWCMQDSXALQLDU-UIDSBSESSA-N
MW302.41 g/mol
LogP2.79
Rot. Bonds10

About methyl (3R,5R)-3-hydroxy-5-(oxan-2-yloxy)decanoate

methyl (3R,5R)-3-hydroxy-5-(oxan-2-yloxy)decanoate (PubChem CID 71747223) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is methyl (3R,5R)-3-hydroxy-5-(oxan-2-yloxy)decanoate.

Molecular Properties

Compound Namemethyl (3R,5R)-3-hydroxy-5-(oxan-2-yloxy)decanoate
PubChem CID71747223
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Namemethyl (3R,5R)-3-hydroxy-5-(oxan-2-yloxy)decanoate
SMILESCCCCC[C@H](C[C@@H](O)CC(=O)OC)OC1CCCCO1
InChIInChI=1S/C16H30O5/c1-3-4-5-8-14(11-13(17)12-15(18)19-2)21-16-9-6-7-10-20-16/h13-14,16-17H,3-12H2,1-2H3/t13-,14-,16?/m1/s1
InChIKeyKWCMQDSXALQLDU-UIDSBSESSA-N
XLogP2.79
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (3R,5R)-3-hydroxy-5-(oxan-2-yloxy)decanoate 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 methyl (3R,5R)-3-hydroxy-5-(oxan-2-yloxy)decanoate?
The IUPAC name of methyl (3R,5R)-3-hydroxy-5-(oxan-2-yloxy)decanoate (CID 71747223) is methyl (3R,5R)-3-hydroxy-5-(oxan-2-yloxy)decanoate.
What is the SMILES notation for methyl (3R,5R)-3-hydroxy-5-(oxan-2-yloxy)decanoate?
The canonical SMILES for methyl (3R,5R)-3-hydroxy-5-(oxan-2-yloxy)decanoate is CCCCC[C@H](C[C@@H](O)CC(=O)OC)OC1CCCCO1.
What is the InChIKey of methyl (3R,5R)-3-hydroxy-5-(oxan-2-yloxy)decanoate?
The InChIKey is KWCMQDSXALQLDU-UIDSBSESSA-N. The full InChI is InChI=1S/C16H30O5/c1-3-4-5-8-14(11-13(17)12-15(18)19-2)21-16-9-6-7-10-20-16/h13-14,16-17H,3-12H2,1-2H3/t13-,14-,16?/m1/s1.
What are the key properties of methyl (3R,5R)-3-hydroxy-5-(oxan-2-yloxy)decanoate?
methyl (3R,5R)-3-hydroxy-5-(oxan-2-yloxy)decanoate has a molecular weight of 302.41 g/mol, XLogP of 2.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,5R)-3-hydroxy-5-(oxan-2-yloxy)decanoate is sourced from PubChem (CID 71747223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).