2-butyloctyl carbamate

C13H27NO2 — CID 22099120

IUPAC2-butyloctyl carbamate
SMILESCCCCCCC(CCCC)COC(N)=O
InChIInChI=1S/C13H27NO2/c1-3-5-7-8-10-12(9-6-4-2)11-16-13(14)15/h12H,3-11H2,1-2H3,(H2,14,15)
InChIKeyLPYUIQNRPAWSKX-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.86
Rot. Bonds10

About 2-butyloctyl carbamate

2-butyloctyl carbamate (PubChem CID 22099120) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-butyloctyl carbamate.

Molecular Properties

Compound Name2-butyloctyl carbamate
PubChem CID22099120
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-butyloctyl carbamate
SMILESCCCCCCC(CCCC)COC(N)=O
InChIInChI=1S/C13H27NO2/c1-3-5-7-8-10-12(9-6-4-2)11-16-13(14)15/h12H,3-11H2,1-2H3,(H2,14,15)
InChIKeyLPYUIQNRPAWSKX-UHFFFAOYSA-N
XLogP3.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-octyldodecyl hydrogen carbonate
CID 89413986
2-butyltridecyl acetate
CID 163783668
2-butyloctyl acetate
CID 87569476
[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl] carbamate
CID 175092094
2-decylhexadecyl 2-decyloctadecanoate
CID 139900333
bis(2-hexyldecyl) (E)-but-2-enedioate
CID 6366024
2-decyltetradecyl propanoate
CID 160958817
2-heptylundecyl 2-ethylhexanoate
CID 88536856
2-pentylundecyl 2-ethylhexanoate
CID 11462797
6-(2-butyloctoxy)hexanamide
CID 175423769
2-tetradecyloctadecyl hexadecanoate
CID 3023956
2-propylundecyl acetate
CID 170849319

Frequently Asked Questions

What is the IUPAC name of 2-butyloctyl carbamate?
The IUPAC name of 2-butyloctyl carbamate (CID 22099120) is 2-butyloctyl carbamate.
What is the SMILES notation for 2-butyloctyl carbamate?
The canonical SMILES for 2-butyloctyl carbamate is CCCCCCC(CCCC)COC(N)=O.
What is the InChIKey of 2-butyloctyl carbamate?
The InChIKey is LPYUIQNRPAWSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-5-7-8-10-12(9-6-4-2)11-16-13(14)15/h12H,3-11H2,1-2H3,(H2,14,15).
What are the key properties of 2-butyloctyl carbamate?
2-butyloctyl carbamate has a molecular weight of 229.36 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyloctyl carbamate is sourced from PubChem (CID 22099120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).