propan-2-yl N-(4,4,5,5-tetramethylhexyl)carbamate

C14H29NO2 — CID 20706643

IUPACpropan-2-yl N-(4,4,5,5-tetramethylhexyl)carbamate
SMILESCC(C)OC(=O)NCCCC(C)(C)C(C)(C)C
InChIInChI=1S/C14H29NO2/c1-11(2)17-12(16)15-10-8-9-14(6,7)13(3,4)5/h11H,8-10H2,1-7H3,(H,15,16)
InChIKeyVIDSPQXERGBVJW-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.97
Rot. Bonds5

About propan-2-yl N-(4,4,5,5-tetramethylhexyl)carbamate

propan-2-yl N-(4,4,5,5-tetramethylhexyl)carbamate (PubChem CID 20706643) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is propan-2-yl N-(4,4,5,5-tetramethylhexyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(4,4,5,5-tetramethylhexyl)carbamate
PubChem CID20706643
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Namepropan-2-yl N-(4,4,5,5-tetramethylhexyl)carbamate
SMILESCC(C)OC(=O)NCCCC(C)(C)C(C)(C)C
InChIInChI=1S/C14H29NO2/c1-11(2)17-12(16)15-10-8-9-14(6,7)13(3,4)5/h11H,8-10H2,1-7H3,(H,15,16)
InChIKeyVIDSPQXERGBVJW-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.97
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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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(4,4,5,5-tetramethylhexyl)carbamate?
The IUPAC name of propan-2-yl N-(4,4,5,5-tetramethylhexyl)carbamate (CID 20706643) is propan-2-yl N-(4,4,5,5-tetramethylhexyl)carbamate.
What is the SMILES notation for propan-2-yl N-(4,4,5,5-tetramethylhexyl)carbamate?
The canonical SMILES for propan-2-yl N-(4,4,5,5-tetramethylhexyl)carbamate is CC(C)OC(=O)NCCCC(C)(C)C(C)(C)C.
What is the InChIKey of propan-2-yl N-(4,4,5,5-tetramethylhexyl)carbamate?
The InChIKey is VIDSPQXERGBVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-11(2)17-12(16)15-10-8-9-14(6,7)13(3,4)5/h11H,8-10H2,1-7H3,(H,15,16).
What are the key properties of propan-2-yl N-(4,4,5,5-tetramethylhexyl)carbamate?
propan-2-yl N-(4,4,5,5-tetramethylhexyl)carbamate has a molecular weight of 243.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(4,4,5,5-tetramethylhexyl)carbamate is sourced from PubChem (CID 20706643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).