6-hydroxyhexan-3-yl N-tert-butylcarbamate

C11H23NO3 — CID 87693864

IUPAC6-hydroxyhexan-3-yl N-tert-butylcarbamate
SMILESCCC(CCCO)OC(=O)NC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-9(7-6-8-13)15-10(14)12-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyIMFFKFYULHZKOO-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.06
Rot. Bonds5

About 6-hydroxyhexan-3-yl N-tert-butylcarbamate

6-hydroxyhexan-3-yl N-tert-butylcarbamate (PubChem CID 87693864) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 6-hydroxyhexan-3-yl N-tert-butylcarbamate.

Molecular Properties

Compound Name6-hydroxyhexan-3-yl N-tert-butylcarbamate
PubChem CID87693864
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name6-hydroxyhexan-3-yl N-tert-butylcarbamate
SMILESCCC(CCCO)OC(=O)NC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-9(7-6-8-13)15-10(14)12-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyIMFFKFYULHZKOO-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

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Related Compounds

1-(2-hydroxyethoxy)pentan-3-yl N-tert-butylcarbamate
CID 175090573
6-hydroxyhexan-3-yl butanoate
CID 118892653
[(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate
CID 54532018
8-hydroxyoctan-3-yl acetate
CID 101015615
[(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate
CID 174937493
[1-(4-chlorophenyl)-3-hydroxypropyl] N-tert-butylcarbamate
CID 174604639
[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl] N-tert-butylcarbamate
CID 91246310
diheptan-3-yl carbonate
CID 87131933
[(2S)-but-3-yn-2-yl] N-tert-butylcarbamate
CID 142798717
[1-hydroxy-3-[1-(hydroxymethyl)cyclobutyl]propan-2-yl] N-tert-butylcarbamate
CID 174487792
bis(1-hydroxydecan-4-yl) carbonate
CID 170358619
(1-hydroxy-3-pyridin-4-ylpropan-2-yl) N-tert-butylcarbamate
CID 174398090

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyhexan-3-yl N-tert-butylcarbamate?
The IUPAC name of 6-hydroxyhexan-3-yl N-tert-butylcarbamate (CID 87693864) is 6-hydroxyhexan-3-yl N-tert-butylcarbamate.
What is the SMILES notation for 6-hydroxyhexan-3-yl N-tert-butylcarbamate?
The canonical SMILES for 6-hydroxyhexan-3-yl N-tert-butylcarbamate is CCC(CCCO)OC(=O)NC(C)(C)C.
What is the InChIKey of 6-hydroxyhexan-3-yl N-tert-butylcarbamate?
The InChIKey is IMFFKFYULHZKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-9(7-6-8-13)15-10(14)12-11(2,3)4/h9,13H,5-8H2,1-4H3,(H,12,14).
What are the key properties of 6-hydroxyhexan-3-yl N-tert-butylcarbamate?
6-hydroxyhexan-3-yl 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 6-hydroxyhexan-3-yl N-tert-butylcarbamate is sourced from PubChem (CID 87693864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).