(3-ethyloxetan-3-yl)methyl N-(3-chloropropyl)carbamate

C10H18ClNO3 — CID 144860095

IUPAC(3-ethyloxetan-3-yl)methyl N-(3-chloropropyl)carbamate
SMILESCCC1(COC(=O)NCCCCl)COC1
InChIInChI=1S/C10H18ClNO3/c1-2-10(6-14-7-10)8-15-9(13)12-5-3-4-11/h2-8H2,1H3,(H,12,13)
InChIKeyXVZXTSHZHOXCPS-UHFFFAOYSA-N
MW235.71 g/mol
LogP1.77
Rot. Bonds6

About (3-ethyloxetan-3-yl)methyl N-(3-chloropropyl)carbamate

(3-ethyloxetan-3-yl)methyl N-(3-chloropropyl)carbamate (PubChem CID 144860095) has the molecular formula C10H18ClNO3 and a molecular weight of 235.71 g/mol. Its IUPAC name is (3-ethyloxetan-3-yl)methyl N-(3-chloropropyl)carbamate.

Molecular Properties

Compound Name(3-ethyloxetan-3-yl)methyl N-(3-chloropropyl)carbamate
PubChem CID144860095
Molecular FormulaC10H18ClNO3
Molecular Weight235.71 g/mol
Exact Mass235.10
IUPAC Name(3-ethyloxetan-3-yl)methyl N-(3-chloropropyl)carbamate
SMILESCCC1(COC(=O)NCCCCl)COC1
InChIInChI=1S/C10H18ClNO3/c1-2-10(6-14-7-10)8-15-9(13)12-5-3-4-11/h2-8H2,1H3,(H,12,13)
InChIKeyXVZXTSHZHOXCPS-UHFFFAOYSA-N
XLogP1.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Chloroethyl (1-hydroxy-2,2,2-trichloroethyl)carbamate
CID 165364420
(3-ethyloxetan-3-yl)methyl N-butylcarbamate
CID 20682757
(3-ethyloxetan-3-yl)methyl N-ethylcarbamate
CID 54389228
(3-ethyloxetan-3-yl)methyl N-butan-2-ylcarbamate
CID 59687539
2,2-dimethylpropyl N-(3-chloropropyl)carbamate
CID 117877279
1-chloroethyl N-[(2R)-3,3-dimethylbutan-2-yl]carbamate
CID 169845367
Ethyl 2-chloro-3,3-dimethylbutylcarbamate
CID 15577177
4-chlorobutyl N-propylcarbamate
CID 112683022

Frequently Asked Questions

What is the IUPAC name of (3-ethyloxetan-3-yl)methyl N-(3-chloropropyl)carbamate?
The IUPAC name of (3-ethyloxetan-3-yl)methyl N-(3-chloropropyl)carbamate (CID 144860095) is (3-ethyloxetan-3-yl)methyl N-(3-chloropropyl)carbamate.
What is the SMILES notation for (3-ethyloxetan-3-yl)methyl N-(3-chloropropyl)carbamate?
The canonical SMILES for (3-ethyloxetan-3-yl)methyl N-(3-chloropropyl)carbamate is CCC1(COC(=O)NCCCCl)COC1.
What is the InChIKey of (3-ethyloxetan-3-yl)methyl N-(3-chloropropyl)carbamate?
The InChIKey is XVZXTSHZHOXCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO3/c1-2-10(6-14-7-10)8-15-9(13)12-5-3-4-11/h2-8H2,1H3,(H,12,13).
What are the key properties of (3-ethyloxetan-3-yl)methyl N-(3-chloropropyl)carbamate?
(3-ethyloxetan-3-yl)methyl N-(3-chloropropyl)carbamate has a molecular weight of 235.71 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyloxetan-3-yl)methyl N-(3-chloropropyl)carbamate is sourced from PubChem (CID 144860095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).