4-hydroxyhexyl N-tert-butylcarbamate

C11H23NO3 — CID 87693865

IUPAC4-hydroxyhexyl N-tert-butylcarbamate
SMILESCCC(O)CCCOC(=O)NC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-9(13)7-6-8-15-10(14)12-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyHHCQYWCKURIICL-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.06
Rot. Bonds5

About 4-hydroxyhexyl N-tert-butylcarbamate

4-hydroxyhexyl N-tert-butylcarbamate (PubChem CID 87693865) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-hydroxyhexyl N-tert-butylcarbamate.

Molecular Properties

Compound Name4-hydroxyhexyl N-tert-butylcarbamate
PubChem CID87693865
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name4-hydroxyhexyl N-tert-butylcarbamate
SMILESCCC(O)CCCOC(=O)NC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-9(13)7-6-8-15-10(14)12-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyHHCQYWCKURIICL-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.06
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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxyhexyl N-tert-butylcarbamate?
The IUPAC name of 4-hydroxyhexyl N-tert-butylcarbamate (CID 87693865) is 4-hydroxyhexyl N-tert-butylcarbamate.
What is the SMILES notation for 4-hydroxyhexyl N-tert-butylcarbamate?
The canonical SMILES for 4-hydroxyhexyl N-tert-butylcarbamate is CCC(O)CCCOC(=O)NC(C)(C)C.
What is the InChIKey of 4-hydroxyhexyl N-tert-butylcarbamate?
The InChIKey is HHCQYWCKURIICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-9(13)7-6-8-15-10(14)12-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14).
What are the key properties of 4-hydroxyhexyl N-tert-butylcarbamate?
4-hydroxyhexyl N-tert-butylcarbamate has a molecular weight of 217.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyhexyl N-tert-butylcarbamate is sourced from PubChem (CID 87693865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).