(E)-2,3-diiodohept-2-ene-1,1,1-triol

C7H12I2O3 — CID 118275607

IUPAC(E)-2,3-diiodohept-2-ene-1,1,1-triol
SMILESCCCC/C(I)=C(\I)C(O)(O)O
InChIInChI=1S/C7H12I2O3/c1-2-3-4-5(8)6(9)7(10,11)12/h10-12H,2-4H2,1H3/b6-5+
InChIKeyMOSUMOMLNSLZDX-AATRIKPKSA-N
MW397.98 g/mol
LogP1.89
Rot. Bonds4

About (E)-2,3-diiodohept-2-ene-1,1,1-triol

(E)-2,3-diiodohept-2-ene-1,1,1-triol (PubChem CID 118275607) has the molecular formula C7H12I2O3 and a molecular weight of 397.98 g/mol. Its IUPAC name is (E)-2,3-diiodohept-2-ene-1,1,1-triol.

Molecular Properties

Compound Name(E)-2,3-diiodohept-2-ene-1,1,1-triol
PubChem CID118275607
Molecular FormulaC7H12I2O3
Molecular Weight397.98 g/mol
Exact Mass397.89
IUPAC Name(E)-2,3-diiodohept-2-ene-1,1,1-triol
SMILESCCCC/C(I)=C(\I)C(O)(O)O
InChIInChI=1S/C7H12I2O3/c1-2-3-4-5(8)6(9)7(10,11)12/h10-12H,2-4H2,1H3/b6-5+
InChIKeyMOSUMOMLNSLZDX-AATRIKPKSA-N
XLogP1.89
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.98
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-iodo-7-methyldodec-6-ene
CID 71334644
pentanimidoyl iodide
CID 135251548
(5Z)-5-ethyl-6-iodo-2-methyldeca-2,3,5-triene
CID 10402756
tritriacontane-15,15,16,16-tetrol
CID 19863089
azanium pentanethioate
CID 141017525
1,1-difluoro-1-iodohexan-2-one
CID 10422794
3-butyl-2-iodohept-2-enal
CID 134996116
1,1-diiododecan-1-ol
CID 118276104
hexane;methylaminomethanetriol
CID 174923369
2-methylhex-1-ene
CID 158402499
5,6-dibutyltetradec-5-ene
CID 19866346
(Z)-4-butyl-5-iodo-1-phenylnon-4-en-1-one
CID 11304057

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-diiodohept-2-ene-1,1,1-triol?
The IUPAC name of (E)-2,3-diiodohept-2-ene-1,1,1-triol (CID 118275607) is (E)-2,3-diiodohept-2-ene-1,1,1-triol.
What is the SMILES notation for (E)-2,3-diiodohept-2-ene-1,1,1-triol?
The canonical SMILES for (E)-2,3-diiodohept-2-ene-1,1,1-triol is CCCC/C(I)=C(\I)C(O)(O)O.
What is the InChIKey of (E)-2,3-diiodohept-2-ene-1,1,1-triol?
The InChIKey is MOSUMOMLNSLZDX-AATRIKPKSA-N. The full InChI is InChI=1S/C7H12I2O3/c1-2-3-4-5(8)6(9)7(10,11)12/h10-12H,2-4H2,1H3/b6-5+.
What are the key properties of (E)-2,3-diiodohept-2-ene-1,1,1-triol?
(E)-2,3-diiodohept-2-ene-1,1,1-triol has a molecular weight of 397.98 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-diiodohept-2-ene-1,1,1-triol is sourced from PubChem (CID 118275607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).