(2R)-2-[(1S)-1-iodopentyl]oxane

C10H19IO — CID 101478306

IUPAC(2R)-2-[(1S)-1-iodopentyl]oxane
SMILESCCCC[C@H](I)[C@H]1CCCCO1
InChIInChI=1S/C10H19IO/c1-2-3-6-9(11)10-7-4-5-8-12-10/h9-10H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyXKGFEVVRSGFFMX-VHSXEESVSA-N
MW282.16 g/mol
LogP3.55
Rot. Bonds4

About (2R)-2-[(1S)-1-iodopentyl]oxane

(2R)-2-[(1S)-1-iodopentyl]oxane (PubChem CID 101478306) has the molecular formula C10H19IO and a molecular weight of 282.16 g/mol. Its IUPAC name is (2R)-2-[(1S)-1-iodopentyl]oxane.

Molecular Properties

Compound Name(2R)-2-[(1S)-1-iodopentyl]oxane
PubChem CID101478306
Molecular FormulaC10H19IO
Molecular Weight282.16 g/mol
Exact Mass282.05
IUPAC Name(2R)-2-[(1S)-1-iodopentyl]oxane
SMILESCCCC[C@H](I)[C@H]1CCCCO1
InChIInChI=1S/C10H19IO/c1-2-3-6-9(11)10-7-4-5-8-12-10/h9-10H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyXKGFEVVRSGFFMX-VHSXEESVSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Propyltetrahydropyran
CID 138066
2-Butyl-tetrahydro-pyran
CID 12508241
2-Pentyloxane
CID 12596605
5-Fluoro-2-pentyloxane
CID 11275319
(2R,6S)-4-fluoro-2,6-dipropyloxane
CID 14492058
(2R,6S)-4-fluoro-2,6-dipentyloxane
CID 101504275
(2S,4S)-4-fluoro-2-heptyloxane
CID 102438674
(2R,4R)-4-fluoro-2-pentyloxane
CID 132568216
(2S,4S)-4-fluoro-2-hexyloxane
CID 154714295
5-Fluoro-2-hexyloxane
CID 154715253
(2R,6S)-2,6-dibutyl-4-fluorooxane
CID 154716013
1-Iodo-cis-2,3-epoxy-octane
CID 13906506

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1-iodopentyl]oxane?
The IUPAC name of (2R)-2-[(1S)-1-iodopentyl]oxane (CID 101478306) is (2R)-2-[(1S)-1-iodopentyl]oxane.
What is the SMILES notation for (2R)-2-[(1S)-1-iodopentyl]oxane?
The canonical SMILES for (2R)-2-[(1S)-1-iodopentyl]oxane is CCCC[C@H](I)[C@H]1CCCCO1.
What is the InChIKey of (2R)-2-[(1S)-1-iodopentyl]oxane?
The InChIKey is XKGFEVVRSGFFMX-VHSXEESVSA-N. The full InChI is InChI=1S/C10H19IO/c1-2-3-6-9(11)10-7-4-5-8-12-10/h9-10H,2-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1-iodopentyl]oxane?
(2R)-2-[(1S)-1-iodopentyl]oxane has a molecular weight of 282.16 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1-iodopentyl]oxane is sourced from PubChem (CID 101478306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).