tert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate

C14H25NO3 — CID 170896883

IUPACtert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC2(CCCCC2O)C1
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-10-8-14(9-10)7-5-4-6-11(14)16/h10-11,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyPJTMVQJUJGWIAT-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.59
Rot. Bonds1

About tert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate

tert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate (PubChem CID 170896883) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate
PubChem CID170896883
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC2(CCCCC2O)C1
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-10-8-14(9-10)7-5-4-6-11(14)16/h10-11,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyPJTMVQJUJGWIAT-UHFFFAOYSA-N
XLogP2.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate (CID 170896883) is tert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate is CC(C)(C)OC(=O)NC1CC2(CCCCC2O)C1.
What is the InChIKey of tert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate?
The InChIKey is PJTMVQJUJGWIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-10-8-14(9-10)7-5-4-6-11(14)16/h10-11,16H,4-9H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate?
tert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate has a molecular weight of 255.36 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate is sourced from PubChem (CID 170896883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).