1,3-diiodononane

C9H18I2 — CID 168864693

IUPAC1,3-diiodononane
SMILESCCCCCCC(I)CCI
InChIInChI=1S/C9H18I2/c1-2-3-4-5-6-9(11)7-8-10/h9H,2-8H2,1H3
InChIKeyNRBUAETYYOUGFR-UHFFFAOYSA-N
MW380.05 g/mol
LogP4.59
Rot. Bonds7

About 1,3-diiodononane

1,3-diiodononane (PubChem CID 168864693) has the molecular formula C9H18I2 and a molecular weight of 380.05 g/mol. Its IUPAC name is 1,3-diiodononane.

Molecular Properties

Compound Name1,3-diiodononane
PubChem CID168864693
Molecular FormulaC9H18I2
Molecular Weight380.05 g/mol
Exact Mass379.95
IUPAC Name1,3-diiodononane
SMILESCCCCCCC(I)CCI
InChIInChI=1S/C9H18I2/c1-2-3-4-5-6-9(11)7-8-10/h9H,2-8H2,1H3
InChIKeyNRBUAETYYOUGFR-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.05
LogP ≤ 54.59
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

6-iodododecane
CID 19090932
7-iodotetradecane
CID 87229248
3-iodotetradecane
CID 122583608
1-chloro-5-iodopentadecane
CID 122583752
(3R)-1-iododecan-3-ol
CID 18651328
(4S)-4-iodooctane
CID 97300695
7-(4-iodobutyl)tridecane
CID 155905887
1-iodo-4-methyloctadecane
CID 85217133
(Z)-1,2-diiodooctadec-9-ene
CID 175474976
(2R)-1,2-diiodohexane
CID 118680674
2-iodooctadecane
CID 138596673
(4R)-1-iodopentadecan-4-ol
CID 10021004

Frequently Asked Questions

What is the IUPAC name of 1,3-diiodononane?
The IUPAC name of 1,3-diiodononane (CID 168864693) is 1,3-diiodononane.
What is the SMILES notation for 1,3-diiodononane?
The canonical SMILES for 1,3-diiodononane is CCCCCCC(I)CCI.
What is the InChIKey of 1,3-diiodononane?
The InChIKey is NRBUAETYYOUGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18I2/c1-2-3-4-5-6-9(11)7-8-10/h9H,2-8H2,1H3.
What are the key properties of 1,3-diiodononane?
1,3-diiodononane has a molecular weight of 380.05 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diiodononane is sourced from PubChem (CID 168864693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).