(2R,3R,4R)-1-iodo-4-(methoxymethoxy)oct-7-ene-2,3-diol

C10H19IO4 — CID 134832287

IUPAC(2R,3R,4R)-1-iodo-4-(methoxymethoxy)oct-7-ene-2,3-diol
SMILESC=CCC[C@@H](OCOC)[C@H](O)[C@@H](O)CI
InChIInChI=1S/C10H19IO4/c1-3-4-5-9(15-7-14-2)10(13)8(12)6-11/h3,8-10,12-13H,1,4-7H2,2H3/t8-,9+,10+/m0/s1
InChIKeyUXQBDNXQJVWHMO-IVZWLZJFSA-N
MW330.16 g/mol
LogP1.10
Rot. Bonds9

About (2R,3R,4R)-1-iodo-4-(methoxymethoxy)oct-7-ene-2,3-diol

(2R,3R,4R)-1-iodo-4-(methoxymethoxy)oct-7-ene-2,3-diol (PubChem CID 134832287) has the molecular formula C10H19IO4 and a molecular weight of 330.16 g/mol. Its IUPAC name is (2R,3R,4R)-1-iodo-4-(methoxymethoxy)oct-7-ene-2,3-diol.

Molecular Properties

Compound Name(2R,3R,4R)-1-iodo-4-(methoxymethoxy)oct-7-ene-2,3-diol
PubChem CID134832287
Molecular FormulaC10H19IO4
Molecular Weight330.16 g/mol
Exact Mass330.03
IUPAC Name(2R,3R,4R)-1-iodo-4-(methoxymethoxy)oct-7-ene-2,3-diol
SMILESC=CCC[C@@H](OCOC)[C@H](O)[C@@H](O)CI
InChIInChI=1S/C10H19IO4/c1-3-4-5-9(15-7-14-2)10(13)8(12)6-11/h3,8-10,12-13H,1,4-7H2,2H3/t8-,9+,10+/m0/s1
InChIKeyUXQBDNXQJVWHMO-IVZWLZJFSA-N
XLogP1.10
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

(4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 11322182
(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol
CID 11346374
(4R,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 16059325
(4S,5R,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-ol
CID 102144558
(4R,5R,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-ol
CID 102144559
(2S,3R,4R)-4-(methoxymethoxy)oct-7-ene-1,2,3-triol
CID 134856154
(4S,5S)-4,5-bis(methoxymethoxy)non-1-en-3-ol
CID 135039854
(5S,6S)-6-(methoxymethoxy)deca-1,9-dien-5-ol
CID 11390251
(1S)-1-[(4S,5S)-5-[(1S)-1-hydroxybut-3-enyl]-2-iodo-2-methyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 124132271
(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-ol
CID 162517826
[(2R,3R,5S,6S)-3-but-3-enyl-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol
CID 11230719
(2S,4R)-4-(2-methoxyethoxymethoxy)hept-6-ene-1,2-diol
CID 11299274

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-1-iodo-4-(methoxymethoxy)oct-7-ene-2,3-diol?
The IUPAC name of (2R,3R,4R)-1-iodo-4-(methoxymethoxy)oct-7-ene-2,3-diol (CID 134832287) is (2R,3R,4R)-1-iodo-4-(methoxymethoxy)oct-7-ene-2,3-diol.
What is the SMILES notation for (2R,3R,4R)-1-iodo-4-(methoxymethoxy)oct-7-ene-2,3-diol?
The canonical SMILES for (2R,3R,4R)-1-iodo-4-(methoxymethoxy)oct-7-ene-2,3-diol is C=CCC[C@@H](OCOC)[C@H](O)[C@@H](O)CI.
What is the InChIKey of (2R,3R,4R)-1-iodo-4-(methoxymethoxy)oct-7-ene-2,3-diol?
The InChIKey is UXQBDNXQJVWHMO-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H19IO4/c1-3-4-5-9(15-7-14-2)10(13)8(12)6-11/h3,8-10,12-13H,1,4-7H2,2H3/t8-,9+,10+/m0/s1.
What are the key properties of (2R,3R,4R)-1-iodo-4-(methoxymethoxy)oct-7-ene-2,3-diol?
(2R,3R,4R)-1-iodo-4-(methoxymethoxy)oct-7-ene-2,3-diol has a molecular weight of 330.16 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-1-iodo-4-(methoxymethoxy)oct-7-ene-2,3-diol is sourced from PubChem (CID 134832287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).