1-iododecan-2-ol

C10H21IO — CID 10957011

IUPAC1-iododecan-2-ol
SMILESCCCCCCCCC(O)CI
InChIInChI=1S/C10H21IO/c1-2-3-4-5-6-7-8-10(12)9-11/h10,12H,2-9H2,1H3
InChIKeyRJTVFWMMZAQXER-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.53
Rot. Bonds8

About 1-iododecan-2-ol

1-iododecan-2-ol (PubChem CID 10957011) has the molecular formula C10H21IO and a molecular weight of 284.18 g/mol. Its IUPAC name is 1-iododecan-2-ol.

Molecular Properties

Compound Name1-iododecan-2-ol
PubChem CID10957011
Molecular FormulaC10H21IO
Molecular Weight284.18 g/mol
Exact Mass284.06
IUPAC Name1-iododecan-2-ol
SMILESCCCCCCCCC(O)CI
InChIInChI=1S/C10H21IO/c1-2-3-4-5-6-7-8-10(12)9-11/h10,12H,2-9H2,1H3
InChIKeyRJTVFWMMZAQXER-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.53
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

(4R)-1-iodopentadecan-4-ol
CID 10021004
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
(3R)-1-iododecan-3-ol
CID 18651328
octadecane-8,11-diol
CID 101412726
(5S)-octadecan-5-ol
CID 98231191

Frequently Asked Questions

What is the IUPAC name of 1-iododecan-2-ol?
The IUPAC name of 1-iododecan-2-ol (CID 10957011) is 1-iododecan-2-ol.
What is the SMILES notation for 1-iododecan-2-ol?
The canonical SMILES for 1-iododecan-2-ol is CCCCCCCCC(O)CI.
What is the InChIKey of 1-iododecan-2-ol?
The InChIKey is RJTVFWMMZAQXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21IO/c1-2-3-4-5-6-7-8-10(12)9-11/h10,12H,2-9H2,1H3.
What are the key properties of 1-iododecan-2-ol?
1-iododecan-2-ol has a molecular weight of 284.18 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iododecan-2-ol is sourced from PubChem (CID 10957011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).