(5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol

C28H56O3 — CID 125494842

IUPAC(5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol
SMILESCCCCCCCCC(CCCCCCCC)C[C@H](O)CCCCO[C@@H]1CCCCO1
InChIInChI=1S/C28H56O3/c1-3-5-7-9-11-13-19-26(20-14-12-10-8-6-4-2)25-27(29)21-15-17-23-30-28-22-16-18-24-31-28/h26-29H,3-25H2,1-2H3/t27-,28+/m1/s1
InChIKeyVSZMTPAQXPVMKC-IZLXSDGUSA-N
MW440.75 g/mol
LogP8.57
Rot. Bonds22

About (5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol

(5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol (PubChem CID 125494842) has the molecular formula C28H56O3 and a molecular weight of 440.75 g/mol. Its IUPAC name is (5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol.

Molecular Properties

Compound Name(5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol
PubChem CID125494842
Molecular FormulaC28H56O3
Molecular Weight440.75 g/mol
Exact Mass440.42
IUPAC Name(5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol
SMILESCCCCCCCCC(CCCCCCCC)C[C@H](O)CCCCO[C@@H]1CCCCO1
InChIInChI=1S/C28H56O3/c1-3-5-7-9-11-13-19-26(20-14-12-10-8-6-4-2)25-27(29)21-15-17-23-30-28-22-16-18-24-31-28/h26-29H,3-25H2,1-2H3/t27-,28+/m1/s1
InChIKeyVSZMTPAQXPVMKC-IZLXSDGUSA-N
XLogP8.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.75
LogP ≤ 58.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol 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

2-octacosoxyoxane
CID 11214102
2-[(15S)-15-methylpentacosoxy]oxane
CID 71379039
(3S)-8-(oxan-2-yloxy)octane-1,3-diol
CID 11831727
2-[4-(oxan-2-yloxy)butyl]decanoic acid
CID 177221724
2-(10-bromotetradecoxy)oxane
CID 23365986
2-(6-methylheptoxy)oxane
CID 139685112
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
1-(oxan-2-yloxy)dec-2-yn-4-ol
CID 10944981
9-hexylheptadecan-7-ol
CID 19871685
6-[4-(oxan-2-yloxy)butylamino]hexyl 2-hexyldecanoate
CID 171652278

Frequently Asked Questions

What is the IUPAC name of (5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol?
The IUPAC name of (5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol (CID 125494842) is (5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol.
What is the SMILES notation for (5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol?
The canonical SMILES for (5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol is CCCCCCCCC(CCCCCCCC)C[C@H](O)CCCCO[C@@H]1CCCCO1.
What is the InChIKey of (5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol?
The InChIKey is VSZMTPAQXPVMKC-IZLXSDGUSA-N. The full InChI is InChI=1S/C28H56O3/c1-3-5-7-9-11-13-19-26(20-14-12-10-8-6-4-2)25-27(29)21-15-17-23-30-28-22-16-18-24-31-28/h26-29H,3-25H2,1-2H3/t27-,28+/m1/s1.
What are the key properties of (5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol?
(5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol has a molecular weight of 440.75 g/mol, XLogP of 8.57, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-octyl-1-[(2R)-oxan-2-yl]oxypentadecan-5-ol is sourced from PubChem (CID 125494842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).