(2-ethyl-1-iodopentyl) carbamate

C8H16INO2 — CID 87165427

IUPAC(2-ethyl-1-iodopentyl) carbamate
SMILESCCCC(CC)C(I)OC(N)=O
InChIInChI=1S/C8H16INO2/c1-3-5-6(4-2)7(9)12-8(10)11/h6-7H,3-5H2,1-2H3,(H2,10,11)
InChIKeyDLZPLSBQNQBHJH-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.67
Rot. Bonds5

About (2-ethyl-1-iodopentyl) carbamate

(2-ethyl-1-iodopentyl) carbamate (PubChem CID 87165427) has the molecular formula C8H16INO2 and a molecular weight of 285.12 g/mol. Its IUPAC name is (2-ethyl-1-iodopentyl) carbamate.

Molecular Properties

Compound Name(2-ethyl-1-iodopentyl) carbamate
PubChem CID87165427
Molecular FormulaC8H16INO2
Molecular Weight285.12 g/mol
Exact Mass285.02
IUPAC Name(2-ethyl-1-iodopentyl) carbamate
SMILESCCCC(CC)C(I)OC(N)=O
InChIInChI=1S/C8H16INO2/c1-3-5-6(4-2)7(9)12-8(10)11/h6-7H,3-5H2,1-2H3,(H2,10,11)
InChIKeyDLZPLSBQNQBHJH-UHFFFAOYSA-N
XLogP2.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-iodoheptan-4-yl carbamate
CID 87824448
5-oxooctan-4-yl carbamate
CID 134890939
1-(1-carbamoyloxybutyldisulfanyl)butyl carbamate
CID 22345940
4,5-diethyloctane
CID 519254
2-iodopropyl carbamate
CID 87289235
(1-amino-3-methyl-1-oxopentan-2-yl) carbamate
CID 174514155
(4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate
CID 137457799
5-iodohept-2-yn-4-yl carbamate
CID 175439603
dodecan-2-yl carbamate
CID 87166225
nonan-2-yl carbamate
CID 19093303
5-propylnonan-2-yl carbamate
CID 90320212
2,2-dimethylheptan-3-yl carbamate
CID 175434709

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1-iodopentyl) carbamate?
The IUPAC name of (2-ethyl-1-iodopentyl) carbamate (CID 87165427) is (2-ethyl-1-iodopentyl) carbamate.
What is the SMILES notation for (2-ethyl-1-iodopentyl) carbamate?
The canonical SMILES for (2-ethyl-1-iodopentyl) carbamate is CCCC(CC)C(I)OC(N)=O.
What is the InChIKey of (2-ethyl-1-iodopentyl) carbamate?
The InChIKey is DLZPLSBQNQBHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO2/c1-3-5-6(4-2)7(9)12-8(10)11/h6-7H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of (2-ethyl-1-iodopentyl) carbamate?
(2-ethyl-1-iodopentyl) carbamate has a molecular weight of 285.12 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1-iodopentyl) carbamate is sourced from PubChem (CID 87165427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).