dodecoxycarbonylcarbamic acid

C14H27NO4 — CID 19778443

IUPACdodecoxycarbonylcarbamic acid
SMILESCCCCCCCCCCCCOC(=O)NC(=O)O
InChIInChI=1S/C14H27NO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-14(18)15-13(16)17/h2-12H2,1H3,(H,15,18)(H,16,17)
InChIKeyLBFNTRXJFHBQBG-UHFFFAOYSA-N
MW273.37 g/mol
LogP4.31
Rot. Bonds11

About dodecoxycarbonylcarbamic acid

dodecoxycarbonylcarbamic acid (PubChem CID 19778443) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is dodecoxycarbonylcarbamic acid.

Molecular Properties

Compound Namedodecoxycarbonylcarbamic acid
PubChem CID19778443
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Namedodecoxycarbonylcarbamic acid
SMILESCCCCCCCCCCCCOC(=O)NC(=O)O
InChIInChI=1S/C14H27NO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-14(18)15-13(16)17/h2-12H2,1H3,(H,15,18)(H,16,17)
InChIKeyLBFNTRXJFHBQBG-UHFFFAOYSA-N
XLogP4.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butoxycarbonylcarbamic acid
CID 22136826
methyl N-hexoxycarbonylcarbamate
CID 153299552
henicosyl N-aminocarbamate
CID 174861039
octyl N-aminocarbamate
CID 129323256
pentyl N-(pentoxycarbonylamino)carbamate
CID 71445161
(2S)-2-(hexoxycarbonylamino)propanoic acid
CID 139881168
triheptacontyl hydrogen carbonate
CID 142754463
heptaheptacontyl hydrogen carbonate
CID 162768324
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
tetradecyl N-(hydroxymethyl)carbamate
CID 71348472
hexyl N-tetradecylcarbamate
CID 91739120

Frequently Asked Questions

What is the IUPAC name of dodecoxycarbonylcarbamic acid?
The IUPAC name of dodecoxycarbonylcarbamic acid (CID 19778443) is dodecoxycarbonylcarbamic acid.
What is the SMILES notation for dodecoxycarbonylcarbamic acid?
The canonical SMILES for dodecoxycarbonylcarbamic acid is CCCCCCCCCCCCOC(=O)NC(=O)O.
What is the InChIKey of dodecoxycarbonylcarbamic acid?
The InChIKey is LBFNTRXJFHBQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-14(18)15-13(16)17/h2-12H2,1H3,(H,15,18)(H,16,17).
What are the key properties of dodecoxycarbonylcarbamic acid?
dodecoxycarbonylcarbamic acid has a molecular weight of 273.37 g/mol, XLogP of 4.31, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxycarbonylcarbamic acid is sourced from PubChem (CID 19778443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).