(E)-1-iodooct-1-ene;2,2,3,3-tetramethylbutane

C16H33I — CID 54319462

IUPAC(E)-1-iodooct-1-ene;2,2,3,3-tetramethylbutane
SMILESCC(C)(C)C(C)(C)C.CCCCCC/C=C/I
InChIInChI=1S/C8H15I.C8H18/c1-2-3-4-5-6-7-8-9;1-7(2,3)8(4,5)6/h7-8H,2-6H2,1H3;1-6H3/b8-7+;
InChIKeySQPITNQKJKJOHW-USRGLUTNSA-N
MW352.34 g/mol
LogP6.98
Rot. Bonds5

About (E)-1-iodooct-1-ene;2,2,3,3-tetramethylbutane

(E)-1-iodooct-1-ene;2,2,3,3-tetramethylbutane (PubChem CID 54319462) has the molecular formula C16H33I and a molecular weight of 352.34 g/mol. Its IUPAC name is (E)-1-iodooct-1-ene;2,2,3,3-tetramethylbutane.

Molecular Properties

Compound Name(E)-1-iodooct-1-ene;2,2,3,3-tetramethylbutane
PubChem CID54319462
Molecular FormulaC16H33I
Molecular Weight352.34 g/mol
Exact Mass352.16
IUPAC Name(E)-1-iodooct-1-ene;2,2,3,3-tetramethylbutane
SMILESCC(C)(C)C(C)(C)C.CCCCCC/C=C/I
InChIInChI=1S/C8H15I.C8H18/c1-2-3-4-5-6-7-8-9;1-7(2,3)8(4,5)6/h7-8H,2-6H2,1H3;1-6H3/b8-7+;
InChIKeySQPITNQKJKJOHW-USRGLUTNSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.34
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-iodotetradec-1-ene
CID 11359152
1-iodooctadec-1-ene
CID 91510729
(E)-1-iodopentadec-1-ene
CID 13225447
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(E)-hexacos-10-ene
CID 22172169
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710

Frequently Asked Questions

What is the IUPAC name of (E)-1-iodooct-1-ene;2,2,3,3-tetramethylbutane?
The IUPAC name of (E)-1-iodooct-1-ene;2,2,3,3-tetramethylbutane (CID 54319462) is (E)-1-iodooct-1-ene;2,2,3,3-tetramethylbutane.
What is the SMILES notation for (E)-1-iodooct-1-ene;2,2,3,3-tetramethylbutane?
The canonical SMILES for (E)-1-iodooct-1-ene;2,2,3,3-tetramethylbutane is CC(C)(C)C(C)(C)C.CCCCCC/C=C/I.
What is the InChIKey of (E)-1-iodooct-1-ene;2,2,3,3-tetramethylbutane?
The InChIKey is SQPITNQKJKJOHW-USRGLUTNSA-N. The full InChI is InChI=1S/C8H15I.C8H18/c1-2-3-4-5-6-7-8-9;1-7(2,3)8(4,5)6/h7-8H,2-6H2,1H3;1-6H3/b8-7+;.
What are the key properties of (E)-1-iodooct-1-ene;2,2,3,3-tetramethylbutane?
(E)-1-iodooct-1-ene;2,2,3,3-tetramethylbutane has a molecular weight of 352.34 g/mol, XLogP of 6.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-iodooct-1-ene;2,2,3,3-tetramethylbutane is sourced from PubChem (CID 54319462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).