(Z)-3-iodo-6,6-dimethoxyhex-2-en-1-ol

C8H15IO3 — CID 25129059

IUPAC(Z)-3-iodo-6,6-dimethoxyhex-2-en-1-ol
SMILESCOC(CC/C(I)=C/CO)OC
InChIInChI=1S/C8H15IO3/c1-11-8(12-2)4-3-7(9)5-6-10/h5,8,10H,3-4,6H2,1-2H3/b7-5-
InChIKeyYYRFFYQDVUVONC-ALCCZGGFSA-N
MW286.11 g/mol
LogP1.70
Rot. Bonds6

About (Z)-3-iodo-6,6-dimethoxyhex-2-en-1-ol

(Z)-3-iodo-6,6-dimethoxyhex-2-en-1-ol (PubChem CID 25129059) has the molecular formula C8H15IO3 and a molecular weight of 286.11 g/mol. Its IUPAC name is (Z)-3-iodo-6,6-dimethoxyhex-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-iodo-6,6-dimethoxyhex-2-en-1-ol
PubChem CID25129059
Molecular FormulaC8H15IO3
Molecular Weight286.11 g/mol
Exact Mass286.01
IUPAC Name(Z)-3-iodo-6,6-dimethoxyhex-2-en-1-ol
SMILESCOC(CC/C(I)=C/CO)OC
InChIInChI=1S/C8H15IO3/c1-11-8(12-2)4-3-7(9)5-6-10/h5,8,10H,3-4,6H2,1-2H3/b7-5-
InChIKeyYYRFFYQDVUVONC-ALCCZGGFSA-N
XLogP1.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 51.70
H-Bond Donors ≤ 51
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

(2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol
CID 5366901
(3Z)-3-(hydroxymethylidene)-1,1,7,7-tetramethoxyheptan-4-one
CID 15677927
1,1-dimethoxy-8-methylnon-7-en-4-one
CID 13308241
3-iodo-1,1-dimethoxypropane
CID 11042538
2-(3,3-dimethoxypropyl)propane-1,3-diol
CID 19350817
12,12-dimethoxydodecan-1-ol
CID 71412944
(E)-1,1,8,8-tetramethoxyoct-4-ene
CID 15239126
ethyl (2Z,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dienoate
CID 14103326
12,12-dimethoxy-5,9-dimethyldodec-8-en-2-ol
CID 156747026
5,5-dimethoxypentane-1,3-diol
CID 57301339
(2S)-2-amino-6,6-dimethoxy-3-oxohexanoic acid
CID 139917802
(E)-17,17-dimethoxyheptadec-3-en-1-ol
CID 163205461

Frequently Asked Questions

What is the IUPAC name of (Z)-3-iodo-6,6-dimethoxyhex-2-en-1-ol?
The IUPAC name of (Z)-3-iodo-6,6-dimethoxyhex-2-en-1-ol (CID 25129059) is (Z)-3-iodo-6,6-dimethoxyhex-2-en-1-ol.
What is the SMILES notation for (Z)-3-iodo-6,6-dimethoxyhex-2-en-1-ol?
The canonical SMILES for (Z)-3-iodo-6,6-dimethoxyhex-2-en-1-ol is COC(CC/C(I)=C/CO)OC.
What is the InChIKey of (Z)-3-iodo-6,6-dimethoxyhex-2-en-1-ol?
The InChIKey is YYRFFYQDVUVONC-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H15IO3/c1-11-8(12-2)4-3-7(9)5-6-10/h5,8,10H,3-4,6H2,1-2H3/b7-5-.
What are the key properties of (Z)-3-iodo-6,6-dimethoxyhex-2-en-1-ol?
(Z)-3-iodo-6,6-dimethoxyhex-2-en-1-ol has a molecular weight of 286.11 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-iodo-6,6-dimethoxyhex-2-en-1-ol is sourced from PubChem (CID 25129059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).