[(2E,4Z)-3-propan-2-ylhepta-2,4,6-trien-2-yl] hypoiodite

C10H15IO — CID 137490290

IUPAC[(2E,4Z)-3-propan-2-ylhepta-2,4,6-trien-2-yl] hypoiodite
SMILESC=C/C=C\C(=C(/C)OI)C(C)C
InChIInChI=1S/C10H15IO/c1-5-6-7-10(8(2)3)9(4)12-11/h5-8H,1H2,2-4H3/b7-6-,10-9-
InChIKeyOOANEQXWRHJJEG-HZJYTTRNSA-N
MW278.13 g/mol
LogP4.03
Rot. Bonds4

About [(2E,4Z)-3-propan-2-ylhepta-2,4,6-trien-2-yl] hypoiodite

[(2E,4Z)-3-propan-2-ylhepta-2,4,6-trien-2-yl] hypoiodite (PubChem CID 137490290) has the molecular formula C10H15IO and a molecular weight of 278.13 g/mol. Its IUPAC name is [(2E,4Z)-3-propan-2-ylhepta-2,4,6-trien-2-yl] hypoiodite.

Molecular Properties

Compound Name[(2E,4Z)-3-propan-2-ylhepta-2,4,6-trien-2-yl] hypoiodite
PubChem CID137490290
Molecular FormulaC10H15IO
Molecular Weight278.13 g/mol
Exact Mass278.02
IUPAC Name[(2E,4Z)-3-propan-2-ylhepta-2,4,6-trien-2-yl] hypoiodite
SMILESC=C/C=C\C(=C(/C)OI)C(C)C
InChIInChI=1S/C10H15IO/c1-5-6-7-10(8(2)3)9(4)12-11/h5-8H,1H2,2-4H3/b7-6-,10-9-
InChIKeyOOANEQXWRHJJEG-HZJYTTRNSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5Z,7Z)-6-propan-2-yl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 145184393
5,6,7-trimethylnona-1,3,5-triene
CID 123607192
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
(3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene
CID 89381368
(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene
CID 145336445
(3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene
CID 139332360
(3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene
CID 145452305
2-methyl-3-methylidenehepta-4,6-dienoic acid
CID 123881666
(3Z)-8-methyl-5-methylidenenona-1,3-diene
CID 143490392
(3Z,5Z)-5-propan-2-ylocta-1,3,5-triene
CID 143760343
6-bromo-5-methylidenehepta-1,3-diene
CID 123730228
(2Z,4Z)-hepta-2,4,6-triene-2,3-diol
CID 130419647

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-3-propan-2-ylhepta-2,4,6-trien-2-yl] hypoiodite?
The IUPAC name of [(2E,4Z)-3-propan-2-ylhepta-2,4,6-trien-2-yl] hypoiodite (CID 137490290) is [(2E,4Z)-3-propan-2-ylhepta-2,4,6-trien-2-yl] hypoiodite.
What is the SMILES notation for [(2E,4Z)-3-propan-2-ylhepta-2,4,6-trien-2-yl] hypoiodite?
The canonical SMILES for [(2E,4Z)-3-propan-2-ylhepta-2,4,6-trien-2-yl] hypoiodite is C=C/C=C\C(=C(/C)OI)C(C)C.
What is the InChIKey of [(2E,4Z)-3-propan-2-ylhepta-2,4,6-trien-2-yl] hypoiodite?
The InChIKey is OOANEQXWRHJJEG-HZJYTTRNSA-N. The full InChI is InChI=1S/C10H15IO/c1-5-6-7-10(8(2)3)9(4)12-11/h5-8H,1H2,2-4H3/b7-6-,10-9-.
What are the key properties of [(2E,4Z)-3-propan-2-ylhepta-2,4,6-trien-2-yl] hypoiodite?
[(2E,4Z)-3-propan-2-ylhepta-2,4,6-trien-2-yl] hypoiodite has a molecular weight of 278.13 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-3-propan-2-ylhepta-2,4,6-trien-2-yl] hypoiodite is sourced from PubChem (CID 137490290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).