tert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol

C15H31NO3 — CID 22106791

IUPACtert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol
SMILESCC(C)(C)OC(N)=O.CC1CCC(CCCO)CC1
InChIInChI=1S/C10H20O.C5H11NO2/c1-9-4-6-10(7-5-9)3-2-8-11;1-5(2,3)8-4(6)7/h9-11H,2-8H2,1H3;1-3H3,(H2,6,7)
InChIKeyFDUZMCOCHWJJAD-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.47
Rot. Bonds3

About tert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol

tert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol (PubChem CID 22106791) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is tert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol.

Molecular Properties

Compound Nametert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol
PubChem CID22106791
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Nametert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol
SMILESCC(C)(C)OC(N)=O.CC1CCC(CCCO)CC1
InChIInChI=1S/C10H20O.C5H11NO2/c1-9-4-6-10(7-5-9)3-2-8-11;1-5(2,3)8-4(6)7/h9-11H,2-8H2,1H3;1-3H3,(H2,6,7)
InChIKeyFDUZMCOCHWJJAD-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

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tert-butyl 4-(3-bromopropyl)piperidine-1-carboxylate;tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate
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tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate
CID 63243388
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tert-butyl carbamate;molecular nitrogen
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Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol?
The IUPAC name of tert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol (CID 22106791) is tert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol.
What is the SMILES notation for tert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol?
The canonical SMILES for tert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol is CC(C)(C)OC(N)=O.CC1CCC(CCCO)CC1.
What is the InChIKey of tert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol?
The InChIKey is FDUZMCOCHWJJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C5H11NO2/c1-9-4-6-10(7-5-9)3-2-8-11;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;3-(4-methylcyclohexyl)propan-1-ol?
tert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol 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;3-(4-methylcyclohexyl)propan-1-ol is sourced from PubChem (CID 22106791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).