propan-2-yl (propan-2-yloxycarbonylamino) carbonate

C8H15NO5 — CID 12985743

IUPACpropan-2-yl (propan-2-yloxycarbonylamino) carbonate
SMILESCC(C)OC(=O)NOC(=O)OC(C)C
InChIInChI=1S/C8H15NO5/c1-5(2)12-7(10)9-14-8(11)13-6(3)4/h5-6H,1-4H3,(H,9,10)
InChIKeyPFHHQCRTDDVBQS-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.60
Rot. Bonds2

About propan-2-yl (propan-2-yloxycarbonylamino) carbonate

propan-2-yl (propan-2-yloxycarbonylamino) carbonate (PubChem CID 12985743) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is propan-2-yl (propan-2-yloxycarbonylamino) carbonate.

Molecular Properties

Compound Namepropan-2-yl (propan-2-yloxycarbonylamino) carbonate
PubChem CID12985743
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Namepropan-2-yl (propan-2-yloxycarbonylamino) carbonate
SMILESCC(C)OC(=O)NOC(=O)OC(C)C
InChIInChI=1S/C8H15NO5/c1-5(2)12-7(10)9-14-8(11)13-6(3)4/h5-6H,1-4H3,(H,9,10)
InChIKeyPFHHQCRTDDVBQS-UHFFFAOYSA-N
XLogP1.60
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl N-sulfanylcarbamate
CID 57037214
propan-2-yl (propan-2-ylamino)methyl carbonate
CID 59502371
anilino propan-2-yl carbonate
CID 167181374
propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate
CID 116657976
propan-2-yl N-(4-aminobutan-2-yl)carbamate
CID 62094213
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
3-methylbutan-2-yl propan-2-yl carbonate
CID 23388328
[(2S)-3-methylbutan-2-yl] propan-2-yl carbonate
CID 118177700
ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate
CID 167448544
propan-2-yl N-(5-aminohexan-2-yl)carbamate
CID 123188257
propan-2-yl 2-methoxycarbonyloxyacetate
CID 139642714
2-bromoethyl propan-2-yl carbonate
CID 103970527

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (propan-2-yloxycarbonylamino) carbonate?
The IUPAC name of propan-2-yl (propan-2-yloxycarbonylamino) carbonate (CID 12985743) is propan-2-yl (propan-2-yloxycarbonylamino) carbonate.
What is the SMILES notation for propan-2-yl (propan-2-yloxycarbonylamino) carbonate?
The canonical SMILES for propan-2-yl (propan-2-yloxycarbonylamino) carbonate is CC(C)OC(=O)NOC(=O)OC(C)C.
What is the InChIKey of propan-2-yl (propan-2-yloxycarbonylamino) carbonate?
The InChIKey is PFHHQCRTDDVBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-5(2)12-7(10)9-14-8(11)13-6(3)4/h5-6H,1-4H3,(H,9,10).
What are the key properties of propan-2-yl (propan-2-yloxycarbonylamino) carbonate?
propan-2-yl (propan-2-yloxycarbonylamino) carbonate has a molecular weight of 205.21 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (propan-2-yloxycarbonylamino) carbonate is sourced from PubChem (CID 12985743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).