(3R,4R)-3-(1-iodoethenyl)-4-methoxyoxolane

C7H11IO2 — CID 12039541

IUPAC(3R,4R)-3-(1-iodoethenyl)-4-methoxyoxolane
SMILESC=C(I)[C@@H]1COC[C@@H]1OC
InChIInChI=1S/C7H11IO2/c1-5(8)6-3-10-4-7(6)9-2/h6-7H,1,3-4H2,2H3/t6-,7-/m0/s1
InChIKeyJZBIVTZKSMNVNZ-BQBZGAKWSA-N
MW254.07 g/mol
LogP1.60
Rot. Bonds2

About (3R,4R)-3-(1-iodoethenyl)-4-methoxyoxolane

(3R,4R)-3-(1-iodoethenyl)-4-methoxyoxolane (PubChem CID 12039541) has the molecular formula C7H11IO2 and a molecular weight of 254.07 g/mol. Its IUPAC name is (3R,4R)-3-(1-iodoethenyl)-4-methoxyoxolane.

Molecular Properties

Compound Name(3R,4R)-3-(1-iodoethenyl)-4-methoxyoxolane
PubChem CID12039541
Molecular FormulaC7H11IO2
Molecular Weight254.07 g/mol
Exact Mass253.98
IUPAC Name(3R,4R)-3-(1-iodoethenyl)-4-methoxyoxolane
SMILESC=C(I)[C@@H]1COC[C@@H]1OC
InChIInChI=1S/C7H11IO2/c1-5(8)6-3-10-4-7(6)9-2/h6-7H,1,3-4H2,2H3/t6-,7-/m0/s1
InChIKeyJZBIVTZKSMNVNZ-BQBZGAKWSA-N
XLogP1.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-prop-1-en-2-yloxane
CID 163535676
(3R,5R)-3,4,5-trimethoxyoxane
CID 6428184
(3R)-3-methoxy-4-methyloxolane
CID 147902074
[(3R,4S,5S)-4-acetyloxy-5-methoxyoxan-3-yl] acetate
CID 6428305
[(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate
CID 100966636
(3S,4R)-4-methoxyoxolane-3-sulfonamide
CID 132992802
4-methoxyoxolane-3-sulfonyl fluoride
CID 130973853
1-[(3S,4R)-4-methoxyoxolan-3-yl]-3-methylthiourea
CID 130676291
[(3R,4S)-3-methoxyoxan-4-yl]methanamine
CID 67314237
N'-(4-methoxyoxolan-3-yl)-N'-methylmethanediamine
CID 177342052
CID 170573296
CID 170573296
ethane;3-methoxy-4-methyloxane
CID 143656491

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(1-iodoethenyl)-4-methoxyoxolane?
The IUPAC name of (3R,4R)-3-(1-iodoethenyl)-4-methoxyoxolane (CID 12039541) is (3R,4R)-3-(1-iodoethenyl)-4-methoxyoxolane.
What is the SMILES notation for (3R,4R)-3-(1-iodoethenyl)-4-methoxyoxolane?
The canonical SMILES for (3R,4R)-3-(1-iodoethenyl)-4-methoxyoxolane is C=C(I)[C@@H]1COC[C@@H]1OC.
What is the InChIKey of (3R,4R)-3-(1-iodoethenyl)-4-methoxyoxolane?
The InChIKey is JZBIVTZKSMNVNZ-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H11IO2/c1-5(8)6-3-10-4-7(6)9-2/h6-7H,1,3-4H2,2H3/t6-,7-/m0/s1.
What are the key properties of (3R,4R)-3-(1-iodoethenyl)-4-methoxyoxolane?
(3R,4R)-3-(1-iodoethenyl)-4-methoxyoxolane has a molecular weight of 254.07 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(1-iodoethenyl)-4-methoxyoxolane is sourced from PubChem (CID 12039541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).