(2R,4R)-4-heptan-4-yloxypentan-2-ol

C12H26O2 — CID 134978690

IUPAC(2R,4R)-4-heptan-4-yloxypentan-2-ol
SMILESCCCC(CCC)O[C@H](C)C[C@@H](C)O
InChIInChI=1S/C12H26O2/c1-5-7-12(8-6-2)14-11(4)9-10(3)13/h10-13H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyFOZRBPJFALMECE-GHMZBOCLSA-N
MW202.34 g/mol
LogP3.13
Rot. Bonds8

About (2R,4R)-4-heptan-4-yloxypentan-2-ol

(2R,4R)-4-heptan-4-yloxypentan-2-ol (PubChem CID 134978690) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is (2R,4R)-4-heptan-4-yloxypentan-2-ol.

Molecular Properties

Compound Name(2R,4R)-4-heptan-4-yloxypentan-2-ol
PubChem CID134978690
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name(2R,4R)-4-heptan-4-yloxypentan-2-ol
SMILESCCCC(CCC)O[C@H](C)C[C@@H](C)O
InChIInChI=1S/C12H26O2/c1-5-7-12(8-6-2)14-11(4)9-10(3)13/h10-13H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyFOZRBPJFALMECE-GHMZBOCLSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-heptan-4-yloxypropan-1-amine
CID 88964936
ethyl (3R)-3-[(2S,4R)-4-hydroxypentan-2-yl]oxypentanoate
CID 102437107
heptane-2,4-diol
CID 161420509
1-heptan-4-yloxypropan-2-ol
CID 140681787
4-(2-hydroxynonan-4-yloxy)nonan-2-ol
CID 70302296
[(2S,4S)-2-hydroxyheptan-4-yl] butanoate
CID 15311748
2-methyl-4-(2-methylheptan-4-yloxy)heptane
CID 22758032
2-pentan-3-yloxypentane
CID 91256227
(2R)-pentan-2-ol
CID 7014876
tris(pentane-2,4-diol);ruthenium
CID 5231187
(2R,4S)-4-methoxypentan-2-ol
CID 59003340
nonane-2,4,6-triol
CID 87069137

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-heptan-4-yloxypentan-2-ol?
The IUPAC name of (2R,4R)-4-heptan-4-yloxypentan-2-ol (CID 134978690) is (2R,4R)-4-heptan-4-yloxypentan-2-ol.
What is the SMILES notation for (2R,4R)-4-heptan-4-yloxypentan-2-ol?
The canonical SMILES for (2R,4R)-4-heptan-4-yloxypentan-2-ol is CCCC(CCC)O[C@H](C)C[C@@H](C)O.
What is the InChIKey of (2R,4R)-4-heptan-4-yloxypentan-2-ol?
The InChIKey is FOZRBPJFALMECE-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-7-12(8-6-2)14-11(4)9-10(3)13/h10-13H,5-9H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of (2R,4R)-4-heptan-4-yloxypentan-2-ol?
(2R,4R)-4-heptan-4-yloxypentan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-heptan-4-yloxypentan-2-ol is sourced from PubChem (CID 134978690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).