tert-butyl carbamate;(4-propylcyclohexyl)methanol

C15H31NO3 — CID 174436433

IUPACtert-butyl carbamate;(4-propylcyclohexyl)methanol
SMILESCC(C)(C)OC(N)=O.CCCC1CCC(CO)CC1
InChIInChI=1S/C10H20O.C5H11NO2/c1-2-3-9-4-6-10(8-11)7-5-9;1-5(2,3)8-4(6)7/h9-11H,2-8H2,1H3;1-3H3,(H2,6,7)
InChIKeySDUHVRASXTTWAE-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.47
Rot. Bonds3

About tert-butyl carbamate;(4-propylcyclohexyl)methanol

tert-butyl carbamate;(4-propylcyclohexyl)methanol (PubChem CID 174436433) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is tert-butyl carbamate;(4-propylcyclohexyl)methanol.

Molecular Properties

Compound Nametert-butyl carbamate;(4-propylcyclohexyl)methanol
PubChem CID174436433
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Nametert-butyl carbamate;(4-propylcyclohexyl)methanol
SMILESCC(C)(C)OC(N)=O.CCCC1CCC(CO)CC1
InChIInChI=1S/C10H20O.C5H11NO2/c1-2-3-9-4-6-10(8-11)7-5-9;1-5(2,3)8-4(6)7/h9-11H,2-8H2,1H3;1-3H3,(H2,6,7)
InChIKeySDUHVRASXTTWAE-UHFFFAOYSA-N
XLogP3.47
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol
CID 22106791
tert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol
CID 22106764
tert-butyl carbamate;4-ethylcyclohexan-1-ol
CID 144752449
[5-[4-(hydroxymethyl)cyclohexyl]-2,3-dimethylpentan-2-yl] carbamate
CID 150132149
tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid
CID 22106849
tert-butyl carbamate;iodomethylcyclobutane
CID 174767644
tert-butyl carbamate;cyclobutanol
CID 143474652
tert-butyl 1-amino-4-(hydroxymethyl)cyclohexane-1-carboxylate
CID 142653726
tert-butyl carbamate;molecular nitrogen
CID 176888665
tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate
CID 113243263
(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
CID 159376194
tert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate
CID 153335647

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;(4-propylcyclohexyl)methanol?
The IUPAC name of tert-butyl carbamate;(4-propylcyclohexyl)methanol (CID 174436433) is tert-butyl carbamate;(4-propylcyclohexyl)methanol.
What is the SMILES notation for tert-butyl carbamate;(4-propylcyclohexyl)methanol?
The canonical SMILES for tert-butyl carbamate;(4-propylcyclohexyl)methanol is CC(C)(C)OC(N)=O.CCCC1CCC(CO)CC1.
What is the InChIKey of tert-butyl carbamate;(4-propylcyclohexyl)methanol?
The InChIKey is SDUHVRASXTTWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C5H11NO2/c1-2-3-9-4-6-10(8-11)7-5-9;1-5(2,3)8-4(6)7/h9-11H,2-8H2,1H3;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;(4-propylcyclohexyl)methanol?
tert-butyl carbamate;(4-propylcyclohexyl)methanol has a molecular weight of 273.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;(4-propylcyclohexyl)methanol is sourced from PubChem (CID 174436433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).