2-[(2S)-6-iodohexan-2-yl]oxyoxane

C11H21IO2 — CID 11659617

IUPAC2-[(2S)-6-iodohexan-2-yl]oxyoxane
SMILESC[C@@H](CCCCI)OC1CCCCO1
InChIInChI=1S/C11H21IO2/c1-10(6-2-4-8-12)14-11-7-3-5-9-13-11/h10-11H,2-9H2,1H3/t10-,11?/m0/s1
InChIKeyCSMPYGHLRRHMSO-VUWPPUDQSA-N
MW312.19 g/mol
LogP3.52
Rot. Bonds6

About 2-[(2S)-6-iodohexan-2-yl]oxyoxane

2-[(2S)-6-iodohexan-2-yl]oxyoxane (PubChem CID 11659617) has the molecular formula C11H21IO2 and a molecular weight of 312.19 g/mol. Its IUPAC name is 2-[(2S)-6-iodohexan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[(2S)-6-iodohexan-2-yl]oxyoxane
PubChem CID11659617
Molecular FormulaC11H21IO2
Molecular Weight312.19 g/mol
Exact Mass312.06
IUPAC Name2-[(2S)-6-iodohexan-2-yl]oxyoxane
SMILESC[C@@H](CCCCI)OC1CCCCO1
InChIInChI=1S/C11H21IO2/c1-10(6-2-4-8-12)14-11-7-3-5-9-13-11/h10-11H,2-9H2,1H3/t10-,11?/m0/s1
InChIKeyCSMPYGHLRRHMSO-VUWPPUDQSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-5-chloropentan-2-yl]oxyoxane
CID 10750818
tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane
CID 101016623
(2S)-2-hept-6-en-2-yloxyoxane
CID 139755185
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
9-(oxan-2-yloxy)dec-2-yn-1-ol
CID 86095981
2-butan-2-yloxyoxane
CID 559028
(E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol
CID 25147334
(2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane
CID 98010095
2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane
CID 102392953
1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
CID 169284168
methyl (E,11R)-11-(oxan-2-yloxy)dodec-2-enoate
CID 10638872

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-6-iodohexan-2-yl]oxyoxane?
The IUPAC name of 2-[(2S)-6-iodohexan-2-yl]oxyoxane (CID 11659617) is 2-[(2S)-6-iodohexan-2-yl]oxyoxane.
What is the SMILES notation for 2-[(2S)-6-iodohexan-2-yl]oxyoxane?
The canonical SMILES for 2-[(2S)-6-iodohexan-2-yl]oxyoxane is C[C@@H](CCCCI)OC1CCCCO1.
What is the InChIKey of 2-[(2S)-6-iodohexan-2-yl]oxyoxane?
The InChIKey is CSMPYGHLRRHMSO-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H21IO2/c1-10(6-2-4-8-12)14-11-7-3-5-9-13-11/h10-11H,2-9H2,1H3/t10-,11?/m0/s1.
What are the key properties of 2-[(2S)-6-iodohexan-2-yl]oxyoxane?
2-[(2S)-6-iodohexan-2-yl]oxyoxane has a molecular weight of 312.19 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-6-iodohexan-2-yl]oxyoxane is sourced from PubChem (CID 11659617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).