octoxycarbonyliminocarbamic acid

C10H18N2O4 — CID 90272761

IUPACoctoxycarbonyliminocarbamic acid
SMILESCCCCCCCCOC(=O)N=NC(=O)O
InChIInChI=1S/C10H18N2O4/c1-2-3-4-5-6-7-8-16-10(15)12-11-9(13)14/h2-8H2,1H3,(H,13,14)
InChIKeyIAYPAUXTUPTLTH-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.61
Rot. Bonds7

About octoxycarbonyliminocarbamic acid

octoxycarbonyliminocarbamic acid (PubChem CID 90272761) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is octoxycarbonyliminocarbamic acid.

Molecular Properties

Compound Nameoctoxycarbonyliminocarbamic acid
PubChem CID90272761
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nameoctoxycarbonyliminocarbamic acid
SMILESCCCCCCCCOC(=O)N=NC(=O)O
InChIInChI=1S/C10H18N2O4/c1-2-3-4-5-6-7-8-16-10(15)12-11-9(13)14/h2-8H2,1H3,(H,13,14)
InChIKeyIAYPAUXTUPTLTH-UHFFFAOYSA-N
XLogP3.61
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

hexyl N-ethoxycarbonyliminocarbamate
CID 140646328
propan-2-yl N-pentoxycarbonyliminocarbamate
CID 140646431
heptyl N-(2-ethylhexoxycarbonylimino)carbamate
CID 140646322
octyl N-(2-ethylhexoxycarbonylimino)carbamate
CID 140646226
triheptacontyl hydrogen carbonate
CID 142754463
heptaheptacontyl hydrogen carbonate
CID 162768324
octadecyl N-(octadecoxycarbonylimino-λ4-sulfanylidene)carbamate
CID 19777044
tris(2-methylpropyl)silyl N-octoxycarbonyliminocarbamate
CID 140646359
tri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate
CID 140646377
azane;nonyl hydrogen carbonate
CID 175306231
ditridecyl oxalate
CID 18377796
hexyl undecyl carbonate
CID 87299622

Frequently Asked Questions

What is the IUPAC name of octoxycarbonyliminocarbamic acid?
The IUPAC name of octoxycarbonyliminocarbamic acid (CID 90272761) is octoxycarbonyliminocarbamic acid.
What is the SMILES notation for octoxycarbonyliminocarbamic acid?
The canonical SMILES for octoxycarbonyliminocarbamic acid is CCCCCCCCOC(=O)N=NC(=O)O.
What is the InChIKey of octoxycarbonyliminocarbamic acid?
The InChIKey is IAYPAUXTUPTLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-3-4-5-6-7-8-16-10(15)12-11-9(13)14/h2-8H2,1H3,(H,13,14).
What are the key properties of octoxycarbonyliminocarbamic acid?
octoxycarbonyliminocarbamic acid has a molecular weight of 230.26 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octoxycarbonyliminocarbamic acid is sourced from PubChem (CID 90272761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).