tert-butyl carbamate;4-ethylcyclohexan-1-ol

C13H27NO3 — CID 144752449

IUPACtert-butyl carbamate;4-ethylcyclohexan-1-ol
SMILESCC(C)(C)OC(N)=O.CCC1CCC(O)CC1
InChIInChI=1S/C8H16O.C5H11NO2/c1-2-7-3-5-8(9)6-4-7;1-5(2,3)8-4(6)7/h7-9H,2-6H2,1H3;1-3H3,(H2,6,7)
InChIKeyLHCHAZDPVWGAHR-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.83
Rot. Bonds1

About tert-butyl carbamate;4-ethylcyclohexan-1-ol

tert-butyl carbamate;4-ethylcyclohexan-1-ol (PubChem CID 144752449) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is tert-butyl carbamate;4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Nametert-butyl carbamate;4-ethylcyclohexan-1-ol
PubChem CID144752449
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Nametert-butyl carbamate;4-ethylcyclohexan-1-ol
SMILESCC(C)(C)OC(N)=O.CCC1CCC(O)CC1
InChIInChI=1S/C8H16O.C5H11NO2/c1-2-7-3-5-8(9)6-4-7;1-5(2,3)8-4(6)7/h7-9H,2-6H2,1H3;1-3H3,(H2,6,7)
InChIKeyLHCHAZDPVWGAHR-UHFFFAOYSA-N
XLogP2.83
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Procymate
CID 3050432
1-Cyclohexylethyl carbamate
CID 20975625
[1-(1-Hydroxyethyl)cyclohexyl] carbamate
CID 21393630
Tert-butyl carbamate;cyclohexanol
CID 22018737
(4-Methylcyclohexyl) carbamate
CID 22083226
Tert-butyl carbamate;(4-ethylcyclohexyl)methanol
CID 22106805
(2-Ethyl-3-hydroxyhexyl) carbamate
CID 22266871
[1-(2-Hydroxyethyl)cyclohexyl] carbamate
CID 54073471
(1-Tert-butyl-4-hydroxycyclohexyl) carbamate
CID 67218335
[4-(Hydroxymethyl)cyclohexyl] carbamate
CID 67470268
[4-(Hydroxymethyl)-1-(2-methylpropyl)cyclohexyl] carbamate
CID 68606069
(3-Hydroxycyclobutylmethyl)-tert-butyl carbamate
CID 68709618

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;4-ethylcyclohexan-1-ol?
The IUPAC name of tert-butyl carbamate;4-ethylcyclohexan-1-ol (CID 144752449) is tert-butyl carbamate;4-ethylcyclohexan-1-ol.
What is the SMILES notation for tert-butyl carbamate;4-ethylcyclohexan-1-ol?
The canonical SMILES for tert-butyl carbamate;4-ethylcyclohexan-1-ol is CC(C)(C)OC(N)=O.CCC1CCC(O)CC1.
What is the InChIKey of tert-butyl carbamate;4-ethylcyclohexan-1-ol?
The InChIKey is LHCHAZDPVWGAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C5H11NO2/c1-2-7-3-5-8(9)6-4-7;1-5(2,3)8-4(6)7/h7-9H,2-6H2,1H3;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;4-ethylcyclohexan-1-ol?
tert-butyl carbamate;4-ethylcyclohexan-1-ol has a molecular weight of 245.36 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;4-ethylcyclohexan-1-ol is sourced from PubChem (CID 144752449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).