6-bromohexyl carbamate

C7H14BrNO2 — CID 174934401

IUPAC6-bromohexyl carbamate
SMILESNC(=O)OCCCCCCBr
InChIInChI=1S/C7H14BrNO2/c8-5-3-1-2-4-6-11-7(9)10/h1-6H2,(H2,9,10)
InChIKeyQMUQKAKLZMLMSA-UHFFFAOYSA-N
MW224.10 g/mol
LogP2.04
Rot. Bonds6

About 6-bromohexyl carbamate

6-bromohexyl carbamate (PubChem CID 174934401) has the molecular formula C7H14BrNO2 and a molecular weight of 224.10 g/mol. Its IUPAC name is 6-bromohexyl carbamate.

Molecular Properties

Compound Name6-bromohexyl carbamate
PubChem CID174934401
Molecular FormulaC7H14BrNO2
Molecular Weight224.10 g/mol
Exact Mass223.02
IUPAC Name6-bromohexyl carbamate
SMILESNC(=O)OCCCCCCBr
InChIInChI=1S/C7H14BrNO2/c8-5-3-1-2-4-6-11-7(9)10/h1-6H2,(H2,9,10)
InChIKeyQMUQKAKLZMLMSA-UHFFFAOYSA-N
XLogP2.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

9-carbamoyloxynonyl carbamate
CID 87883969
10-bromodecyl 8-bromooctanoate
CID 71420607
6-(6-bromohexanoyloxy)hexyl 6-bromohexanoate
CID 20500750
8-bromooctyl 7-bromoheptanoate
CID 102434527
9-aminononyl carbamate
CID 87884060
octacosyl carbamate
CID 160925840
bis(4-bromobutyl) butanedioate
CID 90257094
ethane;pentyl carbamate
CID 142339635
6-bromohexyl undecyl carbonate
CID 163210907
methyl 18-carbamoyloxyoctadecanoate
CID 126739375
9-hydroxynonyl 8-bromooctanoate
CID 71420603
10-bromodecyl 2-methylprop-2-enoate
CID 15153821

Frequently Asked Questions

What is the IUPAC name of 6-bromohexyl carbamate?
The IUPAC name of 6-bromohexyl carbamate (CID 174934401) is 6-bromohexyl carbamate.
What is the SMILES notation for 6-bromohexyl carbamate?
The canonical SMILES for 6-bromohexyl carbamate is NC(=O)OCCCCCCBr.
What is the InChIKey of 6-bromohexyl carbamate?
The InChIKey is QMUQKAKLZMLMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO2/c8-5-3-1-2-4-6-11-7(9)10/h1-6H2,(H2,9,10).
What are the key properties of 6-bromohexyl carbamate?
6-bromohexyl carbamate has a molecular weight of 224.10 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromohexyl carbamate is sourced from PubChem (CID 174934401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).