(4S)-4-iodo-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene

C8H11IO — CID 89263316

IUPAC(4S)-4-iodo-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene
SMILESCC1C2=C(C1C)[C@H](I)CO2
InChIInChI=1S/C8H11IO/c1-4-5(2)8-7(4)6(9)3-10-8/h4-6H,3H2,1-2H3/t4?,5?,6-/m1/s1
InChIKeyJCVYOASWQZZXRN-JMMWHDCWSA-N
MW250.08 g/mol
LogP2.36
Rot. Bonds

About (4S)-4-iodo-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene

(4S)-4-iodo-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene (PubChem CID 89263316) has the molecular formula C8H11IO and a molecular weight of 250.08 g/mol. Its IUPAC name is (4S)-4-iodo-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene.

Molecular Properties

Compound Name(4S)-4-iodo-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene
PubChem CID89263316
Molecular FormulaC8H11IO
Molecular Weight250.08 g/mol
Exact Mass249.99
IUPAC Name(4S)-4-iodo-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene
SMILESCC1C2=C(C1C)[C@H](I)CO2
InChIInChI=1S/C8H11IO/c1-4-5(2)8-7(4)6(9)3-10-8/h4-6H,3H2,1-2H3/t4?,5?,6-/m1/s1
InChIKeyJCVYOASWQZZXRN-JMMWHDCWSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.36
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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-iodo-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene?
The IUPAC name of (4S)-4-iodo-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene (CID 89263316) is (4S)-4-iodo-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene.
What is the SMILES notation for (4S)-4-iodo-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene?
The canonical SMILES for (4S)-4-iodo-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene is CC1C2=C(C1C)[C@H](I)CO2.
What is the InChIKey of (4S)-4-iodo-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene?
The InChIKey is JCVYOASWQZZXRN-JMMWHDCWSA-N. The full InChI is InChI=1S/C8H11IO/c1-4-5(2)8-7(4)6(9)3-10-8/h4-6H,3H2,1-2H3/t4?,5?,6-/m1/s1.
What are the key properties of (4S)-4-iodo-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene?
(4S)-4-iodo-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene has a molecular weight of 250.08 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-iodo-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene is sourced from PubChem (CID 89263316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).