3-iodo-2-(3-iodo-2-methylhexan-2-yl)oxy-2-methylhexane

C14H28I2O — CID 88660420

IUPAC3-iodo-2-(3-iodo-2-methylhexan-2-yl)oxy-2-methylhexane
SMILESCCCC(I)C(C)(C)OC(C)(C)C(I)CCC
InChIInChI=1S/C14H28I2O/c1-7-9-11(15)13(3,4)17-14(5,6)12(16)10-8-2/h11-12H,7-10H2,1-6H3
InChIKeyBKHSEMXLBJBDSV-UHFFFAOYSA-N
MW466.19 g/mol
LogP5.77
Rot. Bonds8

About 3-iodo-2-(3-iodo-2-methylhexan-2-yl)oxy-2-methylhexane

3-iodo-2-(3-iodo-2-methylhexan-2-yl)oxy-2-methylhexane (PubChem CID 88660420) has the molecular formula C14H28I2O and a molecular weight of 466.19 g/mol. Its IUPAC name is 3-iodo-2-(3-iodo-2-methylhexan-2-yl)oxy-2-methylhexane.

Molecular Properties

Compound Name3-iodo-2-(3-iodo-2-methylhexan-2-yl)oxy-2-methylhexane
PubChem CID88660420
Molecular FormulaC14H28I2O
Molecular Weight466.19 g/mol
Exact Mass466.02
IUPAC Name3-iodo-2-(3-iodo-2-methylhexan-2-yl)oxy-2-methylhexane
SMILESCCCC(I)C(C)(C)OC(C)(C)C(I)CCC
InChIInChI=1S/C14H28I2O/c1-7-9-11(15)13(3,4)17-14(5,6)12(16)10-8-2/h11-12H,7-10H2,1-6H3
InChIKeyBKHSEMXLBJBDSV-UHFFFAOYSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.19
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3-heptafluoro-4-iodoheptane
CID 151585042
2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane
CID 18444100
butane-1,1-diol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 174889457
ethane;3-methoxy-2-methylhexan-2-ol
CID 171072389
4,7-bis(2-methylbutan-2-yloxy)decane
CID 171725381
1-iodobutane-1-thiol
CID 22402717
3-tert-butyl-2,2-dimethylhexane
CID 53428784
1-bromo-1-iodobutane
CID 22138270
(3S)-2-ethoxy-2-methylhexan-3-amine
CID 104932360
N-ethyl-2-methoxy-2,4-dimethylheptan-3-amine
CID 107893649
ethane;2-methylpentane
CID 143713716
1,1-difluorobutane;ethane
CID 164925096

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-(3-iodo-2-methylhexan-2-yl)oxy-2-methylhexane?
The IUPAC name of 3-iodo-2-(3-iodo-2-methylhexan-2-yl)oxy-2-methylhexane (CID 88660420) is 3-iodo-2-(3-iodo-2-methylhexan-2-yl)oxy-2-methylhexane.
What is the SMILES notation for 3-iodo-2-(3-iodo-2-methylhexan-2-yl)oxy-2-methylhexane?
The canonical SMILES for 3-iodo-2-(3-iodo-2-methylhexan-2-yl)oxy-2-methylhexane is CCCC(I)C(C)(C)OC(C)(C)C(I)CCC.
What is the InChIKey of 3-iodo-2-(3-iodo-2-methylhexan-2-yl)oxy-2-methylhexane?
The InChIKey is BKHSEMXLBJBDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28I2O/c1-7-9-11(15)13(3,4)17-14(5,6)12(16)10-8-2/h11-12H,7-10H2,1-6H3.
What are the key properties of 3-iodo-2-(3-iodo-2-methylhexan-2-yl)oxy-2-methylhexane?
3-iodo-2-(3-iodo-2-methylhexan-2-yl)oxy-2-methylhexane has a molecular weight of 466.19 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-(3-iodo-2-methylhexan-2-yl)oxy-2-methylhexane is sourced from PubChem (CID 88660420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).