(2S)-2-[(1R)-1-iodohexyl]oxolane

C10H19IO — CID 101448708

IUPAC(2S)-2-[(1R)-1-iodohexyl]oxolane
SMILESCCCCC[C@@H](I)[C@@H]1CCCO1
InChIInChI=1S/C10H19IO/c1-2-3-4-6-9(11)10-7-5-8-12-10/h9-10H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeySSNKWMRRHSDYHX-ZJUUUORDSA-N
MW282.16 g/mol
LogP3.55
Rot. Bonds5

About (2S)-2-[(1R)-1-iodohexyl]oxolane

(2S)-2-[(1R)-1-iodohexyl]oxolane (PubChem CID 101448708) has the molecular formula C10H19IO and a molecular weight of 282.16 g/mol. Its IUPAC name is (2S)-2-[(1R)-1-iodohexyl]oxolane.

Molecular Properties

Compound Name(2S)-2-[(1R)-1-iodohexyl]oxolane
PubChem CID101448708
Molecular FormulaC10H19IO
Molecular Weight282.16 g/mol
Exact Mass282.05
IUPAC Name(2S)-2-[(1R)-1-iodohexyl]oxolane
SMILESCCCCC[C@@H](I)[C@@H]1CCCO1
InChIInChI=1S/C10H19IO/c1-2-3-4-6-9(11)10-7-5-8-12-10/h9-10H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeySSNKWMRRHSDYHX-ZJUUUORDSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': '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

(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
CID 10997513
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
N-methyl-1-(oxolan-2-yl)hexan-1-amine
CID 65331605
2-heptan-2-yloxane
CID 67835602
1-(oxan-2-yl)tridecan-1-amine
CID 115846551
1-(oxolan-2-yl)-N-propylnonan-1-amine
CID 65328476
(2R)-2-[(1R)-1-iodo-4-phenylbutyl]oxolane
CID 11461659
2-[1-(methoxymethoxy)undecyl]oxolane
CID 87669321
1-(oxan-2-yl)heptylhydrazine
CID 105293967
2-(5,6-dimethyldecan-2-yl)oxolane
CID 144527054
(2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane
CID 101448709

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R)-1-iodohexyl]oxolane?
The IUPAC name of (2S)-2-[(1R)-1-iodohexyl]oxolane (CID 101448708) is (2S)-2-[(1R)-1-iodohexyl]oxolane.
What is the SMILES notation for (2S)-2-[(1R)-1-iodohexyl]oxolane?
The canonical SMILES for (2S)-2-[(1R)-1-iodohexyl]oxolane is CCCCC[C@@H](I)[C@@H]1CCCO1.
What is the InChIKey of (2S)-2-[(1R)-1-iodohexyl]oxolane?
The InChIKey is SSNKWMRRHSDYHX-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19IO/c1-2-3-4-6-9(11)10-7-5-8-12-10/h9-10H,2-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of (2S)-2-[(1R)-1-iodohexyl]oxolane?
(2S)-2-[(1R)-1-iodohexyl]oxolane has a molecular weight of 282.16 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-1-iodohexyl]oxolane is sourced from PubChem (CID 101448708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).