benzyl carbamate;heptahydrochloride

C8H16Cl7NO2 — CID 141351835

IUPACbenzyl carbamate;heptahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.Cl.Cl.NC(=O)OCc1ccccc1
InChIInChI=1S/C8H9NO2.7ClH/c9-8(10)11-6-7-4-2-1-3-5-7;;;;;;;/h1-5H,6H2,(H2,9,10);7*1H
InChIKeyQPWJFKSYWBQBRC-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.23
Rot. Bonds2

About benzyl carbamate;heptahydrochloride

benzyl carbamate;heptahydrochloride (PubChem CID 141351835) has the molecular formula C8H16Cl7NO2 and a molecular weight of 406.39 g/mol. Its IUPAC name is benzyl carbamate;heptahydrochloride.

Molecular Properties

Compound Namebenzyl carbamate;heptahydrochloride
PubChem CID141351835
Molecular FormulaC8H16Cl7NO2
Molecular Weight406.39 g/mol
Exact Mass402.90
IUPAC Namebenzyl carbamate;heptahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.Cl.Cl.NC(=O)OCc1ccccc1
InChIInChI=1S/C8H9NO2.7ClH/c9-8(10)11-6-7-4-2-1-3-5-7;;;;;;;/h1-5H,6H2,(H2,9,10);7*1H
InChIKeyQPWJFKSYWBQBRC-UHFFFAOYSA-N
XLogP4.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl carbamate;heptahydrochloride?
The IUPAC name of benzyl carbamate;heptahydrochloride (CID 141351835) is benzyl carbamate;heptahydrochloride.
What is the SMILES notation for benzyl carbamate;heptahydrochloride?
The canonical SMILES for benzyl carbamate;heptahydrochloride is Cl.Cl.Cl.Cl.Cl.Cl.Cl.NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl carbamate;heptahydrochloride?
The InChIKey is QPWJFKSYWBQBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.7ClH/c9-8(10)11-6-7-4-2-1-3-5-7;;;;;;;/h1-5H,6H2,(H2,9,10);7*1H.
What are the key properties of benzyl carbamate;heptahydrochloride?
benzyl carbamate;heptahydrochloride has a molecular weight of 406.39 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl carbamate;heptahydrochloride is sourced from PubChem (CID 141351835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).