(6Z)-5-(1-iodoethyl)-6-prop-2-enylidenecyclohexa-1,3-diene

C11H13I — CID 88907047

IUPAC(6Z)-5-(1-iodoethyl)-6-prop-2-enylidenecyclohexa-1,3-diene
SMILESC=C/C=C1/C=CC=CC1C(C)I
InChIInChI=1S/C11H13I/c1-3-6-10-7-4-5-8-11(10)9(2)12/h3-9,11H,1H2,2H3/b10-6-
InChIKeyDFZCWGSVOKFNGY-POHAHGRESA-N
MW272.13 g/mol
LogP3.66
Rot. Bonds2

About (6Z)-5-(1-iodoethyl)-6-prop-2-enylidenecyclohexa-1,3-diene

(6Z)-5-(1-iodoethyl)-6-prop-2-enylidenecyclohexa-1,3-diene (PubChem CID 88907047) has the molecular formula C11H13I and a molecular weight of 272.13 g/mol. Its IUPAC name is (6Z)-5-(1-iodoethyl)-6-prop-2-enylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name(6Z)-5-(1-iodoethyl)-6-prop-2-enylidenecyclohexa-1,3-diene
PubChem CID88907047
Molecular FormulaC11H13I
Molecular Weight272.13 g/mol
Exact Mass272.01
IUPAC Name(6Z)-5-(1-iodoethyl)-6-prop-2-enylidenecyclohexa-1,3-diene
SMILESC=C/C=C1/C=CC=CC1C(C)I
InChIInChI=1S/C11H13I/c1-3-6-10-7-4-5-8-11(10)9(2)12/h3-9,11H,1H2,2H3/b10-6-
InChIKeyDFZCWGSVOKFNGY-POHAHGRESA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
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'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-5-(1-iodoethyl)-6-prop-2-enylidenecyclohexa-1,3-diene?
The IUPAC name of (6Z)-5-(1-iodoethyl)-6-prop-2-enylidenecyclohexa-1,3-diene (CID 88907047) is (6Z)-5-(1-iodoethyl)-6-prop-2-enylidenecyclohexa-1,3-diene.
What is the SMILES notation for (6Z)-5-(1-iodoethyl)-6-prop-2-enylidenecyclohexa-1,3-diene?
The canonical SMILES for (6Z)-5-(1-iodoethyl)-6-prop-2-enylidenecyclohexa-1,3-diene is C=C/C=C1/C=CC=CC1C(C)I.
What is the InChIKey of (6Z)-5-(1-iodoethyl)-6-prop-2-enylidenecyclohexa-1,3-diene?
The InChIKey is DFZCWGSVOKFNGY-POHAHGRESA-N. The full InChI is InChI=1S/C11H13I/c1-3-6-10-7-4-5-8-11(10)9(2)12/h3-9,11H,1H2,2H3/b10-6-.
What are the key properties of (6Z)-5-(1-iodoethyl)-6-prop-2-enylidenecyclohexa-1,3-diene?
(6Z)-5-(1-iodoethyl)-6-prop-2-enylidenecyclohexa-1,3-diene has a molecular weight of 272.13 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-5-(1-iodoethyl)-6-prop-2-enylidenecyclohexa-1,3-diene is sourced from PubChem (CID 88907047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).