(2R,4R)-4-[(4R)-dec-5-yn-4-yl]oxypentan-2-ol

C15H28O2 — CID 134906123

IUPAC(2R,4R)-4-[(4R)-dec-5-yn-4-yl]oxypentan-2-ol
SMILESCCCCC#C[C@@H](CCC)O[C@H](C)C[C@@H](C)O
InChIInChI=1S/C15H28O2/c1-5-7-8-9-11-15(10-6-2)17-14(4)12-13(3)16/h13-16H,5-8,10,12H2,1-4H3/t13-,14-,15-/m1/s1
InChIKeyZGAAAUYZQOHMFE-RBSFLKMASA-N
MW240.39 g/mol
LogP3.52
Rot. Bonds8

About (2R,4R)-4-[(4R)-dec-5-yn-4-yl]oxypentan-2-ol

(2R,4R)-4-[(4R)-dec-5-yn-4-yl]oxypentan-2-ol (PubChem CID 134906123) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (2R,4R)-4-[(4R)-dec-5-yn-4-yl]oxypentan-2-ol.

Molecular Properties

Compound Name(2R,4R)-4-[(4R)-dec-5-yn-4-yl]oxypentan-2-ol
PubChem CID134906123
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(2R,4R)-4-[(4R)-dec-5-yn-4-yl]oxypentan-2-ol
SMILESCCCCC#C[C@@H](CCC)O[C@H](C)C[C@@H](C)O
InChIInChI=1S/C15H28O2/c1-5-7-8-9-11-15(10-6-2)17-14(4)12-13(3)16/h13-16H,5-8,10,12H2,1-4H3/t13-,14-,15-/m1/s1
InChIKeyZGAAAUYZQOHMFE-RBSFLKMASA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-[(4R)-dec-5-yn-4-yl]oxypentan-2-ol?
The IUPAC name of (2R,4R)-4-[(4R)-dec-5-yn-4-yl]oxypentan-2-ol (CID 134906123) is (2R,4R)-4-[(4R)-dec-5-yn-4-yl]oxypentan-2-ol.
What is the SMILES notation for (2R,4R)-4-[(4R)-dec-5-yn-4-yl]oxypentan-2-ol?
The canonical SMILES for (2R,4R)-4-[(4R)-dec-5-yn-4-yl]oxypentan-2-ol is CCCCC#C[C@@H](CCC)O[C@H](C)C[C@@H](C)O.
What is the InChIKey of (2R,4R)-4-[(4R)-dec-5-yn-4-yl]oxypentan-2-ol?
The InChIKey is ZGAAAUYZQOHMFE-RBSFLKMASA-N. The full InChI is InChI=1S/C15H28O2/c1-5-7-8-9-11-15(10-6-2)17-14(4)12-13(3)16/h13-16H,5-8,10,12H2,1-4H3/t13-,14-,15-/m1/s1.
What are the key properties of (2R,4R)-4-[(4R)-dec-5-yn-4-yl]oxypentan-2-ol?
(2R,4R)-4-[(4R)-dec-5-yn-4-yl]oxypentan-2-ol has a molecular weight of 240.39 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[(4R)-dec-5-yn-4-yl]oxypentan-2-ol is sourced from PubChem (CID 134906123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).