propan-2-yl N-pentoxycarbonyliminocarbamate

C10H18N2O4 — CID 140646431

IUPACpropan-2-yl N-pentoxycarbonyliminocarbamate
SMILESCCCCCOC(=O)N=NC(=O)OC(C)C
InChIInChI=1S/C10H18N2O4/c1-4-5-6-7-15-9(13)11-12-10(14)16-8(2)3/h8H,4-7H2,1-3H3
InChIKeyXKFQMFAVMUAUJQ-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.31
Rot. Bonds5

About propan-2-yl N-pentoxycarbonyliminocarbamate

propan-2-yl N-pentoxycarbonyliminocarbamate (PubChem CID 140646431) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is propan-2-yl N-pentoxycarbonyliminocarbamate.

Molecular Properties

Compound Namepropan-2-yl N-pentoxycarbonyliminocarbamate
PubChem CID140646431
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namepropan-2-yl N-pentoxycarbonyliminocarbamate
SMILESCCCCCOC(=O)N=NC(=O)OC(C)C
InChIInChI=1S/C10H18N2O4/c1-4-5-6-7-15-9(13)11-12-10(14)16-8(2)3/h8H,4-7H2,1-3H3
InChIKeyXKFQMFAVMUAUJQ-UHFFFAOYSA-N
XLogP3.31
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
tri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate
CID 140646377
octoxycarbonyliminocarbamic acid
CID 90272761
tris(2-methylpropyl)silyl N-octoxycarbonyliminocarbamate
CID 140646359
heptyl N-(2-ethylhexoxycarbonylimino)carbamate
CID 140646322
octyl N-(2-ethylhexoxycarbonylimino)carbamate
CID 140646226
1-O-pentyl 4-O-propan-2-yl (E)-but-2-enedioate
CID 91709963
pentyl propan-2-yloxy carbonate
CID 142700968
1-O-heptadecyl 4-O-propan-2-yl (E)-but-2-enedioate
CID 91709848
1-O-decyl 4-O-propan-2-yl but-2-enedioate
CID 173393743
hexadecyl hexadecanoate;propan-2-yl hexadecanoate
CID 160751215
1-O-octadecyl 4-O-propan-2-yl (E)-but-2-enedioate
CID 91709849

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-pentoxycarbonyliminocarbamate?
The IUPAC name of propan-2-yl N-pentoxycarbonyliminocarbamate (CID 140646431) is propan-2-yl N-pentoxycarbonyliminocarbamate.
What is the SMILES notation for propan-2-yl N-pentoxycarbonyliminocarbamate?
The canonical SMILES for propan-2-yl N-pentoxycarbonyliminocarbamate is CCCCCOC(=O)N=NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-pentoxycarbonyliminocarbamate?
The InChIKey is XKFQMFAVMUAUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-4-5-6-7-15-9(13)11-12-10(14)16-8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of propan-2-yl N-pentoxycarbonyliminocarbamate?
propan-2-yl N-pentoxycarbonyliminocarbamate has a molecular weight of 230.26 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-pentoxycarbonyliminocarbamate is sourced from PubChem (CID 140646431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).