1,1-diiododecan-1-ol

C10H20I2O — CID 118276104

IUPAC1,1-diiododecan-1-ol
SMILESCCCCCCCCCC(O)(I)I
InChIInChI=1S/C10H20I2O/c1-2-3-4-5-6-7-8-9-10(11,12)13/h13H,2-9H2,1H3
InChIKeyUTDZIPRYXJFCTL-UHFFFAOYSA-N
MW410.08 g/mol
LogP4.64
Rot. Bonds8

About 1,1-diiododecan-1-ol

1,1-diiododecan-1-ol (PubChem CID 118276104) has the molecular formula C10H20I2O and a molecular weight of 410.08 g/mol. Its IUPAC name is 1,1-diiododecan-1-ol.

Molecular Properties

Compound Name1,1-diiododecan-1-ol
PubChem CID118276104
Molecular FormulaC10H20I2O
Molecular Weight410.08 g/mol
Exact Mass409.96
IUPAC Name1,1-diiododecan-1-ol
SMILESCCCCCCCCCC(O)(I)I
InChIInChI=1S/C10H20I2O/c1-2-3-4-5-6-7-8-9-10(11,12)13/h13H,2-9H2,1H3
InChIKeyUTDZIPRYXJFCTL-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.08
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

10,10-diiodononadecane
CID 154405241
7-hexylhexadecan-7-ol
CID 141253911
triacontane-1,1,1-triol
CID 87376487
tritriacontane-15,15,16,16-tetrol
CID 19863089
docosane-10,10-diol
CID 20528880
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
dodecane-1,1,1-triol
CID 22412604
2-methyldodecan-2-ol
CID 547702
hexadecane-1,1,1-triol;hydrobromide
CID 174918449
13-methylheptacosan-13-ol
CID 87343529
2-iodo-2-methylnonane
CID 12714355

Frequently Asked Questions

What is the IUPAC name of 1,1-diiododecan-1-ol?
The IUPAC name of 1,1-diiododecan-1-ol (CID 118276104) is 1,1-diiododecan-1-ol.
What is the SMILES notation for 1,1-diiododecan-1-ol?
The canonical SMILES for 1,1-diiododecan-1-ol is CCCCCCCCCC(O)(I)I.
What is the InChIKey of 1,1-diiododecan-1-ol?
The InChIKey is UTDZIPRYXJFCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20I2O/c1-2-3-4-5-6-7-8-9-10(11,12)13/h13H,2-9H2,1H3.
What are the key properties of 1,1-diiododecan-1-ol?
1,1-diiododecan-1-ol has a molecular weight of 410.08 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diiododecan-1-ol is sourced from PubChem (CID 118276104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).