(3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene

C10H13I — CID 139332360

IUPAC(3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene
SMILESC=C/C=C\C(=C/C=C)C(C)I
InChIInChI=1S/C10H13I/c1-4-6-8-10(7-5-2)9(3)11/h4-9H,1-2H2,3H3/b8-6-,10-7+
InChIKeyJGCNSSVQWNNPDS-GOOBONSCSA-N
MW260.12 g/mol
LogP3.66
Rot. Bonds4

About (3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene

(3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene (PubChem CID 139332360) has the molecular formula C10H13I and a molecular weight of 260.12 g/mol. Its IUPAC name is (3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene
PubChem CID139332360
Molecular FormulaC10H13I
Molecular Weight260.12 g/mol
Exact Mass260.01
IUPAC Name(3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene
SMILESC=C/C=C\C(=C/C=C)C(C)I
InChIInChI=1S/C10H13I/c1-4-6-8-10(7-5-2)9(3)11/h4-9H,1-2H2,3H3/b8-6-,10-7+
InChIKeyJGCNSSVQWNNPDS-GOOBONSCSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
(3E,4Z)-2-amino-3-prop-2-enylidenehepta-4,6-dienal;ethane;methoxymethane
CID 144949441
(3Z,5Z)-5-propan-2-ylocta-1,3,5-triene
CID 143760343
6-bromo-5-methylidenehepta-1,3-diene
CID 123730228
(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 87112963
ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
(3Z,5E)-5-[chloro(fluoro)methyl]hepta-1,3,5-triene
CID 145158444
(2S,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 126549063
(2R,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 142221873
ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 162518558
(3Z,5Z,6R)-5-ethylidene-6-methyldeca-1,3-diene
CID 144579667
2-methyl-3-methylidenehepta-4,6-dienoic acid
CID 123881666

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene?
The IUPAC name of (3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene (CID 139332360) is (3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene.
What is the SMILES notation for (3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene?
The canonical SMILES for (3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene is C=C/C=C\C(=C/C=C)C(C)I.
What is the InChIKey of (3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene?
The InChIKey is JGCNSSVQWNNPDS-GOOBONSCSA-N. The full InChI is InChI=1S/C10H13I/c1-4-6-8-10(7-5-2)9(3)11/h4-9H,1-2H2,3H3/b8-6-,10-7+.
What are the key properties of (3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene?
(3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene has a molecular weight of 260.12 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene is sourced from PubChem (CID 139332360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).