ethane;(2Z,4E)-5-(iodomethyl)-3-methylhepta-2,4-diene

C11H21I — CID 145238118

IUPACethane;(2Z,4E)-5-(iodomethyl)-3-methylhepta-2,4-diene
SMILESC/C=C(C)\C=C(/CC)CI.CC
InChIInChI=1S/C9H15I.C2H6/c1-4-8(3)6-9(5-2)7-10;1-2/h4,6H,5,7H2,1-3H3;1-2H3/b8-4-,9-6+;
InChIKeyZPOAOYITOQAQCD-IMQWIENCSA-N
MW280.19 g/mol
LogP4.75
Rot. Bonds3

About ethane;(2Z,4E)-5-(iodomethyl)-3-methylhepta-2,4-diene

ethane;(2Z,4E)-5-(iodomethyl)-3-methylhepta-2,4-diene (PubChem CID 145238118) has the molecular formula C11H21I and a molecular weight of 280.19 g/mol. Its IUPAC name is ethane;(2Z,4E)-5-(iodomethyl)-3-methylhepta-2,4-diene.

Molecular Properties

Compound Nameethane;(2Z,4E)-5-(iodomethyl)-3-methylhepta-2,4-diene
PubChem CID145238118
Molecular FormulaC11H21I
Molecular Weight280.19 g/mol
Exact Mass280.07
IUPAC Nameethane;(2Z,4E)-5-(iodomethyl)-3-methylhepta-2,4-diene
SMILESC/C=C(C)\C=C(/CC)CI.CC
InChIInChI=1S/C9H15I.C2H6/c1-4-8(3)6-9(5-2)7-10;1-2/h4,6H,5,7H2,1-3H3;1-2H3/b8-4-,9-6+;
InChIKeyZPOAOYITOQAQCD-IMQWIENCSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 54.75
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

trans-Alloocimene
CID 5368821
beta-Ocimene
CID 18756
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
2,6-Dimethylocta-2,4,6-triene
CID 12658
Alloocimene, (4E,6Z)-
CID 5371125
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene
CID 14656044
2,4-Hexadiene, 3,4-dimethyl-, (E,Z)-
CID 5368977
(E,E)-2,4-Hexadiene, 3,4-dimethyl-
CID 5462959
(E)-2,4-Hexadiene, 2,4-dimethyl-
CID 5463557
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene
CID 14656047
(4Z,6e)-2,6-dimethyl-2,4,6-octatriene
CID 5462627

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4E)-5-(iodomethyl)-3-methylhepta-2,4-diene?
The IUPAC name of ethane;(2Z,4E)-5-(iodomethyl)-3-methylhepta-2,4-diene (CID 145238118) is ethane;(2Z,4E)-5-(iodomethyl)-3-methylhepta-2,4-diene.
What is the SMILES notation for ethane;(2Z,4E)-5-(iodomethyl)-3-methylhepta-2,4-diene?
The canonical SMILES for ethane;(2Z,4E)-5-(iodomethyl)-3-methylhepta-2,4-diene is C/C=C(C)\C=C(/CC)CI.CC.
What is the InChIKey of ethane;(2Z,4E)-5-(iodomethyl)-3-methylhepta-2,4-diene?
The InChIKey is ZPOAOYITOQAQCD-IMQWIENCSA-N. The full InChI is InChI=1S/C9H15I.C2H6/c1-4-8(3)6-9(5-2)7-10;1-2/h4,6H,5,7H2,1-3H3;1-2H3/b8-4-,9-6+;.
What are the key properties of ethane;(2Z,4E)-5-(iodomethyl)-3-methylhepta-2,4-diene?
ethane;(2Z,4E)-5-(iodomethyl)-3-methylhepta-2,4-diene has a molecular weight of 280.19 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4E)-5-(iodomethyl)-3-methylhepta-2,4-diene is sourced from PubChem (CID 145238118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).