(2R,13Z)-3-iodo-2-methoxy-1-oxacyclopentadec-13-ene

C15H27IO2 — CID 101060076

IUPAC(2R,13Z)-3-iodo-2-methoxy-1-oxacyclopentadec-13-ene
SMILESCO[C@@H]1OC/C=C\CCCCCCCCCC1I
InChIInChI=1S/C15H27IO2/c1-17-15-14(16)12-10-8-6-4-2-3-5-7-9-11-13-18-15/h9,11,14-15H,2-8,10,12-13H2,1H3/b11-9-/t14?,15-/m1/s1
InChIKeyWQZTYEOVRSCIGY-VRQKGITKSA-N
MW366.28 g/mol
LogP4.86
Rot. Bonds1

About (2R,13Z)-3-iodo-2-methoxy-1-oxacyclopentadec-13-ene

(2R,13Z)-3-iodo-2-methoxy-1-oxacyclopentadec-13-ene (PubChem CID 101060076) has the molecular formula C15H27IO2 and a molecular weight of 366.28 g/mol. Its IUPAC name is (2R,13Z)-3-iodo-2-methoxy-1-oxacyclopentadec-13-ene.

Molecular Properties

Compound Name(2R,13Z)-3-iodo-2-methoxy-1-oxacyclopentadec-13-ene
PubChem CID101060076
Molecular FormulaC15H27IO2
Molecular Weight366.28 g/mol
Exact Mass366.11
IUPAC Name(2R,13Z)-3-iodo-2-methoxy-1-oxacyclopentadec-13-ene
SMILESCO[C@@H]1OC/C=C\CCCCCCCCCC1I
InChIInChI=1S/C15H27IO2/c1-17-15-14(16)12-10-8-6-4-2-3-5-7-9-11-13-18-15/h9,11,14-15H,2-8,10,12-13H2,1H3/b11-9-/t14?,15-/m1/s1
InChIKeyWQZTYEOVRSCIGY-VRQKGITKSA-N
XLogP4.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 54.86
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,13Z)-3-iodo-2-methoxy-1-oxacyclopentadec-13-ene?
The IUPAC name of (2R,13Z)-3-iodo-2-methoxy-1-oxacyclopentadec-13-ene (CID 101060076) is (2R,13Z)-3-iodo-2-methoxy-1-oxacyclopentadec-13-ene.
What is the SMILES notation for (2R,13Z)-3-iodo-2-methoxy-1-oxacyclopentadec-13-ene?
The canonical SMILES for (2R,13Z)-3-iodo-2-methoxy-1-oxacyclopentadec-13-ene is CO[C@@H]1OC/C=C\CCCCCCCCCC1I.
What is the InChIKey of (2R,13Z)-3-iodo-2-methoxy-1-oxacyclopentadec-13-ene?
The InChIKey is WQZTYEOVRSCIGY-VRQKGITKSA-N. The full InChI is InChI=1S/C15H27IO2/c1-17-15-14(16)12-10-8-6-4-2-3-5-7-9-11-13-18-15/h9,11,14-15H,2-8,10,12-13H2,1H3/b11-9-/t14?,15-/m1/s1.
What are the key properties of (2R,13Z)-3-iodo-2-methoxy-1-oxacyclopentadec-13-ene?
(2R,13Z)-3-iodo-2-methoxy-1-oxacyclopentadec-13-ene has a molecular weight of 366.28 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,13Z)-3-iodo-2-methoxy-1-oxacyclopentadec-13-ene is sourced from PubChem (CID 101060076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).