1,7-diiodooctane

C8H16I2 — CID 168864689

IUPAC1,7-diiodooctane
SMILESCC(I)CCCCCCI
InChIInChI=1S/C8H16I2/c1-8(10)6-4-2-3-5-7-9/h8H,2-7H2,1H3
InChIKeyDYPAJUYNFQWGFN-UHFFFAOYSA-N
MW366.02 g/mol
LogP4.20
Rot. Bonds6

About 1,7-diiodooctane

1,7-diiodooctane (PubChem CID 168864689) has the molecular formula C8H16I2 and a molecular weight of 366.02 g/mol. Its IUPAC name is 1,7-diiodooctane.

Molecular Properties

Compound Name1,7-diiodooctane
PubChem CID168864689
Molecular FormulaC8H16I2
Molecular Weight366.02 g/mol
Exact Mass365.93
IUPAC Name1,7-diiodooctane
SMILESCC(I)CCCCCCI
InChIInChI=1S/C8H16I2/c1-8(10)6-4-2-3-5-7-9/h8H,2-7H2,1H3
InChIKeyDYPAJUYNFQWGFN-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.02
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,8-diiodononane
CID 168864675
1-iodo-21-methyldocosane
CID 140840720
2-iodooctadecane
CID 138596673
(2S)-8-iodooctan-2-ol
CID 139766789
(3R)-1,3-diiodobutane
CID 76764224
5-iodohexan-1-ol
CID 18921038
1,2,11-triiodoundecane
CID 19808234
(1R)-1,11-diiodoundecan-1-amine
CID 138602869
(5S)-5-iodohexan-1-ol
CID 139766894
1-iodobutane;2-iodobutane;1-iododecane;1-iodododecane;1-iodohexadecane;1-iodohexane;1-iodooctane;1-iodopentane;hydroiodide
CID 173246565
1,11-diiodoundecane
CID 4060847
(E)-9-iododec-2-ene
CID 22171957

Frequently Asked Questions

What is the IUPAC name of 1,7-diiodooctane?
The IUPAC name of 1,7-diiodooctane (CID 168864689) is 1,7-diiodooctane.
What is the SMILES notation for 1,7-diiodooctane?
The canonical SMILES for 1,7-diiodooctane is CC(I)CCCCCCI.
What is the InChIKey of 1,7-diiodooctane?
The InChIKey is DYPAJUYNFQWGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16I2/c1-8(10)6-4-2-3-5-7-9/h8H,2-7H2,1H3.
What are the key properties of 1,7-diiodooctane?
1,7-diiodooctane has a molecular weight of 366.02 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diiodooctane is sourced from PubChem (CID 168864689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).