(2R,6S)-2-ethenyl-6-(iodomethyl)-4,4-dimethoxyoxane

C10H17IO3 — CID 53362875

IUPAC(2R,6S)-2-ethenyl-6-(iodomethyl)-4,4-dimethoxyoxane
SMILESC=C[C@H]1CC(OC)(OC)C[C@@H](CI)O1
InChIInChI=1S/C10H17IO3/c1-4-8-5-10(12-2,13-3)6-9(7-11)14-8/h4,8-9H,1,5-7H2,2-3H3/t8-,9-/m0/s1
InChIKeySQLCUUOGILJGHP-IUCAKERBSA-N
MW312.15 g/mol
LogP2.14
Rot. Bonds4

About (2R,6S)-2-ethenyl-6-(iodomethyl)-4,4-dimethoxyoxane

(2R,6S)-2-ethenyl-6-(iodomethyl)-4,4-dimethoxyoxane (PubChem CID 53362875) has the molecular formula C10H17IO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is (2R,6S)-2-ethenyl-6-(iodomethyl)-4,4-dimethoxyoxane.

Molecular Properties

Compound Name(2R,6S)-2-ethenyl-6-(iodomethyl)-4,4-dimethoxyoxane
PubChem CID53362875
Molecular FormulaC10H17IO3
Molecular Weight312.15 g/mol
Exact Mass312.02
IUPAC Name(2R,6S)-2-ethenyl-6-(iodomethyl)-4,4-dimethoxyoxane
SMILESC=C[C@H]1CC(OC)(OC)C[C@@H](CI)O1
InChIInChI=1S/C10H17IO3/c1-4-8-5-10(12-2,13-3)6-9(7-11)14-8/h4,8-9H,1,5-7H2,2-3H3/t8-,9-/m0/s1
InChIKeySQLCUUOGILJGHP-IUCAKERBSA-N
XLogP2.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-ethenyl-6-(iodomethyl)-4,4-dimethoxyoxane?
The IUPAC name of (2R,6S)-2-ethenyl-6-(iodomethyl)-4,4-dimethoxyoxane (CID 53362875) is (2R,6S)-2-ethenyl-6-(iodomethyl)-4,4-dimethoxyoxane.
What is the SMILES notation for (2R,6S)-2-ethenyl-6-(iodomethyl)-4,4-dimethoxyoxane?
The canonical SMILES for (2R,6S)-2-ethenyl-6-(iodomethyl)-4,4-dimethoxyoxane is C=C[C@H]1CC(OC)(OC)C[C@@H](CI)O1.
What is the InChIKey of (2R,6S)-2-ethenyl-6-(iodomethyl)-4,4-dimethoxyoxane?
The InChIKey is SQLCUUOGILJGHP-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17IO3/c1-4-8-5-10(12-2,13-3)6-9(7-11)14-8/h4,8-9H,1,5-7H2,2-3H3/t8-,9-/m0/s1.
What are the key properties of (2R,6S)-2-ethenyl-6-(iodomethyl)-4,4-dimethoxyoxane?
(2R,6S)-2-ethenyl-6-(iodomethyl)-4,4-dimethoxyoxane has a molecular weight of 312.15 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-ethenyl-6-(iodomethyl)-4,4-dimethoxyoxane is sourced from PubChem (CID 53362875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).