(E)-1-iodo-3,3-dimethylbut-1-ene

C6H11I — CID 11063689

IUPAC(E)-1-iodo-3,3-dimethylbut-1-ene
SMILESCC(C)(C)/C=C/I
InChIInChI=1S/C6H11I/c1-6(2,3)4-5-7/h4-5H,1-3H3/b5-4+
InChIKeyPPXNRHIBULESIZ-SNAWJCMRSA-N
MW210.06 g/mol
LogP2.98
Rot. Bonds

About (E)-1-iodo-3,3-dimethylbut-1-ene

(E)-1-iodo-3,3-dimethylbut-1-ene (PubChem CID 11063689) has the molecular formula C6H11I and a molecular weight of 210.06 g/mol. Its IUPAC name is (E)-1-iodo-3,3-dimethylbut-1-ene.

Molecular Properties

Compound Name(E)-1-iodo-3,3-dimethylbut-1-ene
PubChem CID11063689
Molecular FormulaC6H11I
Molecular Weight210.06 g/mol
Exact Mass209.99
IUPAC Name(E)-1-iodo-3,3-dimethylbut-1-ene
SMILESCC(C)(C)/C=C/I
InChIInChI=1S/C6H11I/c1-6(2,3)4-5-7/h4-5H,1-3H3/b5-4+
InChIKeyPPXNRHIBULESIZ-SNAWJCMRSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.06
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3-Dimethyl-1-butene
CID 11210
1,4-Pentadiene, 3,3-dimethyl-
CID 136863
1,2-Pentadiene, 1-iodo-4,4-dimethyl-
CID 145274
(E)-1-iodo-3-methylbut-1-ene
CID 14571425
(Z)-1-Iodo-3-methyl-1-butene
CID 14571426
(3S)-4-iodo-3-methylbut-1-ene
CID 14191666
1-Iodo-3-methylbutene
CID 71380237
4-Iodo-3-methyl-1-butene
CID 14191665
3-Iodo-3-methyl-1-butene
CID 18351239
(Z)-1-Iodo-3,3-dimethyl-1-butene
CID 10965751
1,1,2-Trideuterio-3,3-dimethylbut-1-ene
CID 12316848
1,2-Dideuterio-3,3-dimethylbut-1-ene
CID 16686817

Frequently Asked Questions

What is the IUPAC name of (E)-1-iodo-3,3-dimethylbut-1-ene?
The IUPAC name of (E)-1-iodo-3,3-dimethylbut-1-ene (CID 11063689) is (E)-1-iodo-3,3-dimethylbut-1-ene.
What is the SMILES notation for (E)-1-iodo-3,3-dimethylbut-1-ene?
The canonical SMILES for (E)-1-iodo-3,3-dimethylbut-1-ene is CC(C)(C)/C=C/I.
What is the InChIKey of (E)-1-iodo-3,3-dimethylbut-1-ene?
The InChIKey is PPXNRHIBULESIZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11I/c1-6(2,3)4-5-7/h4-5H,1-3H3/b5-4+.
What are the key properties of (E)-1-iodo-3,3-dimethylbut-1-ene?
(E)-1-iodo-3,3-dimethylbut-1-ene has a molecular weight of 210.06 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-iodo-3,3-dimethylbut-1-ene is sourced from PubChem (CID 11063689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).