2-[(3R)-octan-3-yl]oxyoxane

C13H26O2 — CID 145000966

IUPAC2-[(3R)-octan-3-yl]oxyoxane
SMILESCCCCC[C@@H](CC)OC1CCCCO1
InChIInChI=1S/C13H26O2/c1-3-5-6-9-12(4-2)15-13-10-7-8-11-14-13/h12-13H,3-11H2,1-2H3/t12-,13?/m1/s1
InChIKeyULDPVMIPTBIUAH-PZORYLMUSA-N
MW214.35 g/mol
LogP3.89
Rot. Bonds7

About 2-[(3R)-octan-3-yl]oxyoxane

2-[(3R)-octan-3-yl]oxyoxane (PubChem CID 145000966) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[(3R)-octan-3-yl]oxyoxane.

Molecular Properties

Compound Name2-[(3R)-octan-3-yl]oxyoxane
PubChem CID145000966
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-[(3R)-octan-3-yl]oxyoxane
SMILESCCCCC[C@@H](CC)OC1CCCCO1
InChIInChI=1S/C13H26O2/c1-3-5-6-9-12(4-2)15-13-10-7-8-11-14-13/h12-13H,3-11H2,1-2H3/t12-,13?/m1/s1
InChIKeyULDPVMIPTBIUAH-PZORYLMUSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-(oxan-2-yloxy)nonanal
CID 54007361
(7R)-7-methyl-10-(oxan-2-yloxy)henicosan-8-ol
CID 70401904
(5R)-5-(oxan-2-yloxy)undec-1-en-3-ol
CID 11832481
(3S)-3-(oxan-2-yloxy)hexan-1-ol
CID 67829431
2-oct-1-en-3-yloxyoxane
CID 10727282
2-hexyl-3-hydroxy-5-[(2R)-oxan-2-yl]oxyhexadecanoic acid
CID 18639601
2-hexyl-3-hydroxy-5-(oxan-2-yloxy)hexadecanoic acid
CID 14852585
2-[3-[(2R)-oxan-2-yl]oxyheptanoyl]dodecanoic acid
CID 54308956
3-hydroxy-2-methyl-5-(oxan-2-yloxy)hexadecanoic acid
CID 19794768
(5R)-2-ethyl-3-hydroxy-5-(oxan-2-yloxy)docos-2-enoic acid
CID 67855716
2-[(15S)-15-methylpentacosoxy]oxane
CID 71379039
2-[1-hydroxy-3-[(2R)-oxan-2-yl]oxyheptylidene]dodecanoic acid
CID 67855741

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-octan-3-yl]oxyoxane?
The IUPAC name of 2-[(3R)-octan-3-yl]oxyoxane (CID 145000966) is 2-[(3R)-octan-3-yl]oxyoxane.
What is the SMILES notation for 2-[(3R)-octan-3-yl]oxyoxane?
The canonical SMILES for 2-[(3R)-octan-3-yl]oxyoxane is CCCCC[C@@H](CC)OC1CCCCO1.
What is the InChIKey of 2-[(3R)-octan-3-yl]oxyoxane?
The InChIKey is ULDPVMIPTBIUAH-PZORYLMUSA-N. The full InChI is InChI=1S/C13H26O2/c1-3-5-6-9-12(4-2)15-13-10-7-8-11-14-13/h12-13H,3-11H2,1-2H3/t12-,13?/m1/s1.
What are the key properties of 2-[(3R)-octan-3-yl]oxyoxane?
2-[(3R)-octan-3-yl]oxyoxane has a molecular weight of 214.35 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-octan-3-yl]oxyoxane is sourced from PubChem (CID 145000966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).