4-hydroxypentyl N-tert-butylcarbamate

C10H21NO3 — CID 90839711

IUPAC4-hydroxypentyl N-tert-butylcarbamate
SMILESCC(O)CCCOC(=O)NC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-8(12)6-5-7-14-9(13)11-10(2,3)4/h8,12H,5-7H2,1-4H3,(H,11,13)
InChIKeyQUYHHJLUJPIXKI-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.67
Rot. Bonds4

About 4-hydroxypentyl N-tert-butylcarbamate

4-hydroxypentyl N-tert-butylcarbamate (PubChem CID 90839711) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-hydroxypentyl N-tert-butylcarbamate.

Molecular Properties

Compound Name4-hydroxypentyl N-tert-butylcarbamate
PubChem CID90839711
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name4-hydroxypentyl N-tert-butylcarbamate
SMILESCC(O)CCCOC(=O)NC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-8(12)6-5-7-14-9(13)11-10(2,3)4/h8,12H,5-7H2,1-4H3,(H,11,13)
InChIKeyQUYHHJLUJPIXKI-UHFFFAOYSA-N
XLogP1.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.67
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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Related Compounds

(S)-(-)-tert-butyl 1-hydroxypropan-2-yl carbamate
CID 118237081
(4-hydroxycyclohexyl) N-tert-butylcarbamate
CID 18447546
cyclopentyl N-tert-butylcarbamate
CID 20765308
butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate
CID 22326948
5-hydroxypentyl N-tert-butylcarbamate
CID 53873065
[(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate
CID 54532018
propan-2-yl N-(1-hydroxy-2-methylpropan-2-yl)carbamate
CID 61798351
(3-hydroxycyclobutyl)methyl N-tert-butylcarbamate
CID 68709622
[(2S)-1-hydroxy-4-methoxy-4-methylpentan-2-yl] N-tert-butylcarbamate
CID 87303099
(1-hydroxy-4-methoxy-4-methylpentan-2-yl) N-tert-butylcarbamate
CID 87303100
1-hydroxyhexan-2-yl N-tert-butylcarbamate
CID 87467819
2-hydroxyhexyl N-tert-butylcarbamate
CID 87467821

Frequently Asked Questions

What is the IUPAC name of 4-hydroxypentyl N-tert-butylcarbamate?
The IUPAC name of 4-hydroxypentyl N-tert-butylcarbamate (CID 90839711) is 4-hydroxypentyl N-tert-butylcarbamate.
What is the SMILES notation for 4-hydroxypentyl N-tert-butylcarbamate?
The canonical SMILES for 4-hydroxypentyl N-tert-butylcarbamate is CC(O)CCCOC(=O)NC(C)(C)C.
What is the InChIKey of 4-hydroxypentyl N-tert-butylcarbamate?
The InChIKey is QUYHHJLUJPIXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(12)6-5-7-14-9(13)11-10(2,3)4/h8,12H,5-7H2,1-4H3,(H,11,13).
What are the key properties of 4-hydroxypentyl N-tert-butylcarbamate?
4-hydroxypentyl N-tert-butylcarbamate has a molecular weight of 203.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypentyl N-tert-butylcarbamate is sourced from PubChem (CID 90839711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).