(2S,6R)-2-[2-[(2R,4S,6S)-4,6-dimethyloxan-2-yl]ethyl]-4-iodo-6-methyloxane

C15H27IO2 — CID 155451124

IUPAC(2S,6R)-2-[2-[(2R,4S,6S)-4,6-dimethyloxan-2-yl]ethyl]-4-iodo-6-methyloxane
SMILESC[C@@H]1C[C@@H](CC[C@H]2CC(I)C[C@@H](C)O2)O[C@@H](C)C1
InChIInChI=1S/C15H27IO2/c1-10-6-11(2)17-14(7-10)4-5-15-9-13(16)8-12(3)18-15/h10-15H,4-9H2,1-3H3/t10-,11-,12+,13?,14+,15-/m0/s1
InChIKeyNXSUWYNFHSPKEE-WRQLNJJISA-N
MW366.28 g/mol
LogP4.34
Rot. Bonds3

About (2S,6R)-2-[2-[(2R,4S,6S)-4,6-dimethyloxan-2-yl]ethyl]-4-iodo-6-methyloxane

(2S,6R)-2-[2-[(2R,4S,6S)-4,6-dimethyloxan-2-yl]ethyl]-4-iodo-6-methyloxane (PubChem CID 155451124) has the molecular formula C15H27IO2 and a molecular weight of 366.28 g/mol. Its IUPAC name is (2S,6R)-2-[2-[(2R,4S,6S)-4,6-dimethyloxan-2-yl]ethyl]-4-iodo-6-methyloxane.

Molecular Properties

Compound Name(2S,6R)-2-[2-[(2R,4S,6S)-4,6-dimethyloxan-2-yl]ethyl]-4-iodo-6-methyloxane
PubChem CID155451124
Molecular FormulaC15H27IO2
Molecular Weight366.28 g/mol
Exact Mass366.11
IUPAC Name(2S,6R)-2-[2-[(2R,4S,6S)-4,6-dimethyloxan-2-yl]ethyl]-4-iodo-6-methyloxane
SMILESC[C@@H]1C[C@@H](CC[C@H]2CC(I)C[C@@H](C)O2)O[C@@H](C)C1
InChIInChI=1S/C15H27IO2/c1-10-6-11(2)17-14(7-10)4-5-15-9-13(16)8-12(3)18-15/h10-15H,4-9H2,1-3H3/t10-,11-,12+,13?,14+,15-/m0/s1
InChIKeyNXSUWYNFHSPKEE-WRQLNJJISA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-[2-[(2R,4S,6S)-4,6-dimethyloxan-2-yl]ethyl]-4-iodo-6-methyloxane?
The IUPAC name of (2S,6R)-2-[2-[(2R,4S,6S)-4,6-dimethyloxan-2-yl]ethyl]-4-iodo-6-methyloxane (CID 155451124) is (2S,6R)-2-[2-[(2R,4S,6S)-4,6-dimethyloxan-2-yl]ethyl]-4-iodo-6-methyloxane.
What is the SMILES notation for (2S,6R)-2-[2-[(2R,4S,6S)-4,6-dimethyloxan-2-yl]ethyl]-4-iodo-6-methyloxane?
The canonical SMILES for (2S,6R)-2-[2-[(2R,4S,6S)-4,6-dimethyloxan-2-yl]ethyl]-4-iodo-6-methyloxane is C[C@@H]1C[C@@H](CC[C@H]2CC(I)C[C@@H](C)O2)O[C@@H](C)C1.
What is the InChIKey of (2S,6R)-2-[2-[(2R,4S,6S)-4,6-dimethyloxan-2-yl]ethyl]-4-iodo-6-methyloxane?
The InChIKey is NXSUWYNFHSPKEE-WRQLNJJISA-N. The full InChI is InChI=1S/C15H27IO2/c1-10-6-11(2)17-14(7-10)4-5-15-9-13(16)8-12(3)18-15/h10-15H,4-9H2,1-3H3/t10-,11-,12+,13?,14+,15-/m0/s1.
What are the key properties of (2S,6R)-2-[2-[(2R,4S,6S)-4,6-dimethyloxan-2-yl]ethyl]-4-iodo-6-methyloxane?
(2S,6R)-2-[2-[(2R,4S,6S)-4,6-dimethyloxan-2-yl]ethyl]-4-iodo-6-methyloxane has a molecular weight of 366.28 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-[2-[(2R,4S,6S)-4,6-dimethyloxan-2-yl]ethyl]-4-iodo-6-methyloxane is sourced from PubChem (CID 155451124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).