tert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate

C12H25NO3 — CID 86028262

IUPACtert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate
SMILESCC(C)(CCO)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-11(2,3)16-10(15)13-8-6-12(4,5)7-9-14/h14H,6-9H2,1-5H3,(H,13,15)
InChIKeyOQUWIJGPNVGEDU-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.31
Rot. Bonds5

About tert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate

tert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate (PubChem CID 86028262) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate
PubChem CID86028262
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate
SMILESCC(C)(CCO)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-11(2,3)16-10(15)13-8-6-12(4,5)7-9-14/h14H,6-9H2,1-5H3,(H,13,15)
InChIKeyOQUWIJGPNVGEDU-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 65284445
tert-butyl N-(5-bromo-3,3,5-trimethylhexyl)carbamate
CID 166705207
tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 161081619
tert-butyl N-[4-methyl-3,3-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentyl]carbamate
CID 155196466
tert-butyl N-[2-(2-hydroxyethylsulfonyl)ethyl]carbamate
CID 15539257
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 126480541
tert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate
CID 169146336
ethane-1,2-diol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 175289352
tert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate
CID 72943143
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-(2-bromoethyl)carbamate;methane
CID 158621054

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate?
The IUPAC name of tert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate (CID 86028262) is tert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate?
The canonical SMILES for tert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate is CC(C)(CCO)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate?
The InChIKey is OQUWIJGPNVGEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-11(2,3)16-10(15)13-8-6-12(4,5)7-9-14/h14H,6-9H2,1-5H3,(H,13,15).
What are the key properties of tert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate?
tert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate has a molecular weight of 231.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate is sourced from PubChem (CID 86028262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).