(2R,4R)-4-[(1S)-1-cyclohexylbutoxy]pentan-2-ol

C15H30O2 — CID 14923539

IUPAC(2R,4R)-4-[(1S)-1-cyclohexylbutoxy]pentan-2-ol
SMILESCCC[C@H](O[C@H](C)C[C@@H](C)O)C1CCCCC1
InChIInChI=1S/C15H30O2/c1-4-8-15(14-9-6-5-7-10-14)17-13(3)11-12(2)16/h12-16H,4-11H2,1-3H3/t12-,13-,15+/m1/s1
InChIKeyORAGVHBJGMPEBS-NFAWXSAZSA-N
MW242.40 g/mol
LogP3.91
Rot. Bonds7

About (2R,4R)-4-[(1S)-1-cyclohexylbutoxy]pentan-2-ol

(2R,4R)-4-[(1S)-1-cyclohexylbutoxy]pentan-2-ol (PubChem CID 14923539) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is (2R,4R)-4-[(1S)-1-cyclohexylbutoxy]pentan-2-ol.

Molecular Properties

Compound Name(2R,4R)-4-[(1S)-1-cyclohexylbutoxy]pentan-2-ol
PubChem CID14923539
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name(2R,4R)-4-[(1S)-1-cyclohexylbutoxy]pentan-2-ol
SMILESCCC[C@H](O[C@H](C)C[C@@H](C)O)C1CCCCC1
InChIInChI=1S/C15H30O2/c1-4-8-15(14-9-6-5-7-10-14)17-13(3)11-12(2)16/h12-16H,4-11H2,1-3H3/t12-,13-,15+/m1/s1
InChIKeyORAGVHBJGMPEBS-NFAWXSAZSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-[(1S)-1-cyclohexylbutoxy]pentan-2-ol?
The IUPAC name of (2R,4R)-4-[(1S)-1-cyclohexylbutoxy]pentan-2-ol (CID 14923539) is (2R,4R)-4-[(1S)-1-cyclohexylbutoxy]pentan-2-ol.
What is the SMILES notation for (2R,4R)-4-[(1S)-1-cyclohexylbutoxy]pentan-2-ol?
The canonical SMILES for (2R,4R)-4-[(1S)-1-cyclohexylbutoxy]pentan-2-ol is CCC[C@H](O[C@H](C)C[C@@H](C)O)C1CCCCC1.
What is the InChIKey of (2R,4R)-4-[(1S)-1-cyclohexylbutoxy]pentan-2-ol?
The InChIKey is ORAGVHBJGMPEBS-NFAWXSAZSA-N. The full InChI is InChI=1S/C15H30O2/c1-4-8-15(14-9-6-5-7-10-14)17-13(3)11-12(2)16/h12-16H,4-11H2,1-3H3/t12-,13-,15+/m1/s1.
What are the key properties of (2R,4R)-4-[(1S)-1-cyclohexylbutoxy]pentan-2-ol?
(2R,4R)-4-[(1S)-1-cyclohexylbutoxy]pentan-2-ol has a molecular weight of 242.40 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[(1S)-1-cyclohexylbutoxy]pentan-2-ol is sourced from PubChem (CID 14923539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).