(2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol

C15H30O3 — CID 10777626

IUPAC(2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol
SMILESCCCCC[C@@H](O)[C@H]1C[C@@H](O)[C@@H](CCCCC)O1
InChIInChI=1S/C15H30O3/c1-3-5-7-9-12(16)15-11-13(17)14(18-15)10-8-6-4-2/h12-17H,3-11H2,1-2H3/t12-,13-,14-,15-/m1/s1
InChIKeyBMOSUOZFWIWDFT-KBUPBQIOSA-N
MW258.40 g/mol
LogP3.03
Rot. Bonds9

About (2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol

(2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol (PubChem CID 10777626) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is (2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol
PubChem CID10777626
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name(2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol
SMILESCCCCC[C@@H](O)[C@H]1C[C@@H](O)[C@@H](CCCCC)O1
InChIInChI=1S/C15H30O3/c1-3-5-7-9-12(16)15-11-13(17)14(18-15)10-8-6-4-2/h12-17H,3-11H2,1-2H3/t12-,13-,14-,15-/m1/s1
InChIKeyBMOSUOZFWIWDFT-KBUPBQIOSA-N
XLogP3.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-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

(2S,3S,5S)-5-[(1S)-1-hydroxyheptyl]-2-pentyloxolan-3-ol
CID 101465575
(2S,3S,5R)-5-(1-hydroxydec-9-enyl)-2-pentyloxolan-3-ol
CID 11781945
(2R,3R,5R)-5-[(1S)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol
CID 53350173
methyl 8-[(2S,3R,5R)-3-hydroxy-5-(1-hydroxyhexyl)oxolan-2-yl]octanoate
CID 11221640
methyl 11-hydroxy-11-[(2R,5R)-4-hydroxy-5-pentyloxolan-2-yl]undeca-5,8-dienoate
CID 91121807
1-(3-hexyloxiran-2-yl)hexan-1-ol
CID 123301383
(2S,4S,5S)-4-hydroxy-5-pentyloxolane-2-carbaldehyde
CID 42642816
1-(oxiran-2-yl)dodecan-1-ol
CID 14843341
1-(oxiran-2-yl)octadecan-1-ol
CID 57011592
(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
CID 10975958
(4S,5R)-5-(1-hydroxyheptadecyl)oxolane-2,4-diol
CID 70447721
(2S,4R,5R)-5-(1-hydroxyheptadecyl)oxolane-2,4-diol
CID 70448773

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol?
The IUPAC name of (2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol (CID 10777626) is (2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol.
What is the SMILES notation for (2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol?
The canonical SMILES for (2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol is CCCCC[C@@H](O)[C@H]1C[C@@H](O)[C@@H](CCCCC)O1.
What is the InChIKey of (2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol?
The InChIKey is BMOSUOZFWIWDFT-KBUPBQIOSA-N. The full InChI is InChI=1S/C15H30O3/c1-3-5-7-9-12(16)15-11-13(17)14(18-15)10-8-6-4-2/h12-17H,3-11H2,1-2H3/t12-,13-,14-,15-/m1/s1.
What are the key properties of (2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol?
(2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol has a molecular weight of 258.40 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol is sourced from PubChem (CID 10777626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).