(2R)-6-(oxan-2-yloxy)undec-10-en-2-ol

C16H30O3 — CID 54590122

IUPAC(2R)-6-(oxan-2-yloxy)undec-10-en-2-ol
SMILESC=CCCCC(CCC[C@@H](C)O)OC1CCCCO1
InChIInChI=1S/C16H30O3/c1-3-4-5-10-15(11-8-9-14(2)17)19-16-12-6-7-13-18-16/h3,14-17H,1,4-13H2,2H3/t14-,15?,16?/m1/s1
InChIKeyVTUYVLVNMSTTAX-QQFBHYJXSA-N
MW270.41 g/mol
LogP3.81
Rot. Bonds10

About (2R)-6-(oxan-2-yloxy)undec-10-en-2-ol

(2R)-6-(oxan-2-yloxy)undec-10-en-2-ol (PubChem CID 54590122) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is (2R)-6-(oxan-2-yloxy)undec-10-en-2-ol.

Molecular Properties

Compound Name(2R)-6-(oxan-2-yloxy)undec-10-en-2-ol
PubChem CID54590122
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name(2R)-6-(oxan-2-yloxy)undec-10-en-2-ol
SMILESC=CCCCC(CCC[C@@H](C)O)OC1CCCCO1
InChIInChI=1S/C16H30O3/c1-3-4-5-10-15(11-8-9-14(2)17)19-16-12-6-7-13-18-16/h3,14-17H,1,4-13H2,2H3/t14-,15?,16?/m1/s1
InChIKeyVTUYVLVNMSTTAX-QQFBHYJXSA-N
XLogP3.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-6-(oxan-2-yloxy)undec-10-en-2-ol 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 (2R)-6-(oxan-2-yloxy)undec-10-en-2-ol?
The IUPAC name of (2R)-6-(oxan-2-yloxy)undec-10-en-2-ol (CID 54590122) is (2R)-6-(oxan-2-yloxy)undec-10-en-2-ol.
What is the SMILES notation for (2R)-6-(oxan-2-yloxy)undec-10-en-2-ol?
The canonical SMILES for (2R)-6-(oxan-2-yloxy)undec-10-en-2-ol is C=CCCCC(CCC[C@@H](C)O)OC1CCCCO1.
What is the InChIKey of (2R)-6-(oxan-2-yloxy)undec-10-en-2-ol?
The InChIKey is VTUYVLVNMSTTAX-QQFBHYJXSA-N. The full InChI is InChI=1S/C16H30O3/c1-3-4-5-10-15(11-8-9-14(2)17)19-16-12-6-7-13-18-16/h3,14-17H,1,4-13H2,2H3/t14-,15?,16?/m1/s1.
What are the key properties of (2R)-6-(oxan-2-yloxy)undec-10-en-2-ol?
(2R)-6-(oxan-2-yloxy)undec-10-en-2-ol has a molecular weight of 270.41 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(oxan-2-yloxy)undec-10-en-2-ol is sourced from PubChem (CID 54590122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).