(2-iodocyclododecyl)-methylcarbamic acid

C14H26INO2 — CID 71431982

IUPAC(2-iodocyclododecyl)-methylcarbamic acid
SMILESCN(C(=O)O)C1CCCCCCCCCCC1I
InChIInChI=1S/C14H26INO2/c1-16(14(17)18)13-11-9-7-5-3-2-4-6-8-10-12(13)15/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyIBIYFANSGLYBTN-UHFFFAOYSA-N
MW367.27 g/mol
LogP4.68
Rot. Bonds1

About (2-iodocyclododecyl)-methylcarbamic acid

(2-iodocyclododecyl)-methylcarbamic acid (PubChem CID 71431982) has the molecular formula C14H26INO2 and a molecular weight of 367.27 g/mol. Its IUPAC name is (2-iodocyclododecyl)-methylcarbamic acid.

Molecular Properties

Compound Name(2-iodocyclododecyl)-methylcarbamic acid
PubChem CID71431982
Molecular FormulaC14H26INO2
Molecular Weight367.27 g/mol
Exact Mass367.10
IUPAC Name(2-iodocyclododecyl)-methylcarbamic acid
SMILESCN(C(=O)O)C1CCCCCCCCCCC1I
InChIInChI=1S/C14H26INO2/c1-16(14(17)18)13-11-9-7-5-3-2-4-6-8-10-12(13)15/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyIBIYFANSGLYBTN-UHFFFAOYSA-N
XLogP4.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 54.68
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (2-iodocyclododecyl)-methylcarbamic acid?
The IUPAC name of (2-iodocyclododecyl)-methylcarbamic acid (CID 71431982) is (2-iodocyclododecyl)-methylcarbamic acid.
What is the SMILES notation for (2-iodocyclododecyl)-methylcarbamic acid?
The canonical SMILES for (2-iodocyclododecyl)-methylcarbamic acid is CN(C(=O)O)C1CCCCCCCCCCC1I.
What is the InChIKey of (2-iodocyclododecyl)-methylcarbamic acid?
The InChIKey is IBIYFANSGLYBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26INO2/c1-16(14(17)18)13-11-9-7-5-3-2-4-6-8-10-12(13)15/h12-13H,2-11H2,1H3,(H,17,18).
What are the key properties of (2-iodocyclododecyl)-methylcarbamic acid?
(2-iodocyclododecyl)-methylcarbamic acid has a molecular weight of 367.27 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodocyclododecyl)-methylcarbamic acid is sourced from PubChem (CID 71431982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).