(E)-1-iodo-3-methylhex-3-ene

C7H13I — CID 135030072

IUPAC(E)-1-iodo-3-methylhex-3-ene
SMILESCC/C=C(\C)CCI
InChIInChI=1S/C7H13I/c1-3-4-7(2)5-6-8/h4H,3,5-6H2,1-2H3/b7-4+
InChIKeyBDPFSVLJZUYDRA-QPJJXVBHSA-N
MW224.08 g/mol
LogP3.17
Rot. Bonds3

About (E)-1-iodo-3-methylhex-3-ene

(E)-1-iodo-3-methylhex-3-ene (PubChem CID 135030072) has the molecular formula C7H13I and a molecular weight of 224.08 g/mol. Its IUPAC name is (E)-1-iodo-3-methylhex-3-ene.

Molecular Properties

Compound Name(E)-1-iodo-3-methylhex-3-ene
PubChem CID135030072
Molecular FormulaC7H13I
Molecular Weight224.08 g/mol
Exact Mass224.01
IUPAC Name(E)-1-iodo-3-methylhex-3-ene
SMILESCC/C=C(\C)CCI
InChIInChI=1S/C7H13I/c1-3-4-7(2)5-6-8/h4H,3,5-6H2,1-2H3/b7-4+
InChIKeyBDPFSVLJZUYDRA-QPJJXVBHSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.08
LogP ≤ 53.17
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Pentene, 3-methyl-, (2Z)-
CID 643935
2-Methyl-2-pentene
CID 12243
3-Methyl-2-pentene
CID 12014
(E)-3-methylpent-2-ene
CID 642661
3-Methyl-3-hexene, (E)-
CID 5352447
3-Methyl-3-hexene, (Z)-
CID 5357250
3-Methyl-3-hexene
CID 138074
(2E)-5-Iodo-2-pentene
CID 11030715
(2Z)-5-Iodo-2-pentene
CID 11412920
2-Hexene, 6-iodo-2-methyl-
CID 549566
(6E)-9-iodo-2,6-dimethylnona-2,6-diene
CID 10731263
5-Iodo-2-methyl-2-pentene
CID 11063690

Frequently Asked Questions

What is the IUPAC name of (E)-1-iodo-3-methylhex-3-ene?
The IUPAC name of (E)-1-iodo-3-methylhex-3-ene (CID 135030072) is (E)-1-iodo-3-methylhex-3-ene.
What is the SMILES notation for (E)-1-iodo-3-methylhex-3-ene?
The canonical SMILES for (E)-1-iodo-3-methylhex-3-ene is CC/C=C(\C)CCI.
What is the InChIKey of (E)-1-iodo-3-methylhex-3-ene?
The InChIKey is BDPFSVLJZUYDRA-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H13I/c1-3-4-7(2)5-6-8/h4H,3,5-6H2,1-2H3/b7-4+.
What are the key properties of (E)-1-iodo-3-methylhex-3-ene?
(E)-1-iodo-3-methylhex-3-ene has a molecular weight of 224.08 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-iodo-3-methylhex-3-ene is sourced from PubChem (CID 135030072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).