(3R,4R,5R)-5-[(E)-1-iodoprop-1-enyl]-4-methyloxolan-3-ol

C8H13IO2 — CID 11821590

IUPAC(3R,4R,5R)-5-[(E)-1-iodoprop-1-enyl]-4-methyloxolan-3-ol
SMILESC/C=C(/I)[C@@H]1OC[C@H](O)[C@H]1C
InChIInChI=1S/C8H13IO2/c1-3-6(9)8-5(2)7(10)4-11-8/h3,5,7-8,10H,4H2,1-2H3/b6-3+/t5-,7+,8-/m1/s1
InChIKeyKMCPTKIPHFEUNK-AHKFQMMISA-N
MW268.09 g/mol
LogP1.72
Rot. Bonds1

About (3R,4R,5R)-5-[(E)-1-iodoprop-1-enyl]-4-methyloxolan-3-ol

(3R,4R,5R)-5-[(E)-1-iodoprop-1-enyl]-4-methyloxolan-3-ol (PubChem CID 11821590) has the molecular formula C8H13IO2 and a molecular weight of 268.09 g/mol. Its IUPAC name is (3R,4R,5R)-5-[(E)-1-iodoprop-1-enyl]-4-methyloxolan-3-ol.

Molecular Properties

Compound Name(3R,4R,5R)-5-[(E)-1-iodoprop-1-enyl]-4-methyloxolan-3-ol
PubChem CID11821590
Molecular FormulaC8H13IO2
Molecular Weight268.09 g/mol
Exact Mass268.00
IUPAC Name(3R,4R,5R)-5-[(E)-1-iodoprop-1-enyl]-4-methyloxolan-3-ol
SMILESC/C=C(/I)[C@@H]1OC[C@H](O)[C@H]1C
InChIInChI=1S/C8H13IO2/c1-3-6(9)8-5(2)7(10)4-11-8/h3,5,7-8,10H,4H2,1-2H3/b6-3+/t5-,7+,8-/m1/s1
InChIKeyKMCPTKIPHFEUNK-AHKFQMMISA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4S,5S)-4,5-dihydroxy-3-methyloxane-2-carboxylic acid
CID 89099181
(2R,3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol
CID 89491478
4-methyl-2-propan-2-yloxane-3,5-diol
CID 76796357
(3R,5S)-4-methyloxane-3,5-diol
CID 129236591
(3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol
CID 10441964
5-methyl-6-propan-2-yloxane-3,4-diol
CID 118603929
(2R)-3,4-dihydroxyoxolane-2-carboxylic acid
CID 138535006
(2R,3S,4S,5R)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 100924413
(2R,4R,5S)-2-methyloxane-3,4,5-triol
CID 89321348
(2S,3S,4R,5S)-2-methyloxane-3,4,5-triol
CID 59378770
(2S,5R)-2-methyloxane-3,4,5-triol
CID 67963515
(2S,3R,4R)-2-methyloxolane-3,4-diol
CID 101241466

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-5-[(E)-1-iodoprop-1-enyl]-4-methyloxolan-3-ol?
The IUPAC name of (3R,4R,5R)-5-[(E)-1-iodoprop-1-enyl]-4-methyloxolan-3-ol (CID 11821590) is (3R,4R,5R)-5-[(E)-1-iodoprop-1-enyl]-4-methyloxolan-3-ol.
What is the SMILES notation for (3R,4R,5R)-5-[(E)-1-iodoprop-1-enyl]-4-methyloxolan-3-ol?
The canonical SMILES for (3R,4R,5R)-5-[(E)-1-iodoprop-1-enyl]-4-methyloxolan-3-ol is C/C=C(/I)[C@@H]1OC[C@H](O)[C@H]1C.
What is the InChIKey of (3R,4R,5R)-5-[(E)-1-iodoprop-1-enyl]-4-methyloxolan-3-ol?
The InChIKey is KMCPTKIPHFEUNK-AHKFQMMISA-N. The full InChI is InChI=1S/C8H13IO2/c1-3-6(9)8-5(2)7(10)4-11-8/h3,5,7-8,10H,4H2,1-2H3/b6-3+/t5-,7+,8-/m1/s1.
What are the key properties of (3R,4R,5R)-5-[(E)-1-iodoprop-1-enyl]-4-methyloxolan-3-ol?
(3R,4R,5R)-5-[(E)-1-iodoprop-1-enyl]-4-methyloxolan-3-ol has a molecular weight of 268.09 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-5-[(E)-1-iodoprop-1-enyl]-4-methyloxolan-3-ol is sourced from PubChem (CID 11821590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).