tert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol

C16H33NO3 — CID 22106764

IUPACtert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol
SMILESCC(C)(C)OC(N)=O.CC1CCC(CCCCO)CC1
InChIInChI=1S/C11H22O.C5H11NO2/c1-10-5-7-11(8-6-10)4-2-3-9-12;1-5(2,3)8-4(6)7/h10-12H,2-9H2,1H3;1-3H3,(H2,6,7)
InChIKeyVNNLYCJJNFKMFS-UHFFFAOYSA-N
MW287.44 g/mol
LogP3.86
Rot. Bonds4

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

tert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol (PubChem CID 22106764) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is tert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol.

Molecular Properties

Compound Nametert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol
PubChem CID22106764
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Nametert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol
SMILESCC(C)(C)OC(N)=O.CC1CCC(CCCCO)CC1
InChIInChI=1S/C11H22O.C5H11NO2/c1-10-5-7-11(8-6-10)4-2-3-9-12;1-5(2,3)8-4(6)7/h10-12H,2-9H2,1H3;1-3H3,(H2,6,7)
InChIKeyVNNLYCJJNFKMFS-UHFFFAOYSA-N
XLogP3.86
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol
CID 22106791
tert-butyl carbamate;2-(4-methylcyclohexyl)acetic acid
CID 22106849
tert-butyl carbamate;(4-propylcyclohexyl)methanol
CID 174436433
tert-butyl carbamate;methylcyclohexane
CID 143641656
tert-butyl carbamate;4-ethylcyclohexan-1-ol
CID 144752449
tert-butyl carbamate;cyclopropyne
CID 174661984
tert-butyl carbamate;iodomethylcyclobutane
CID 174767644
[4-(4-hydroxybutyl)cyclohexyl]methyl N-methylcarbamate
CID 150689675
tert-butyl carbamate;cyclobutanol
CID 143474652
tert-butyl 4-(5-hydroxypentyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 139389237
tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate
CID 63243388
5-hydroxy-N-[2-(4-methylcyclohexyl)ethyl]pentanamide
CID 79209594

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol?
The IUPAC name of tert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol (CID 22106764) is tert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol.
What is the SMILES notation for tert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol?
The canonical SMILES for tert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol is CC(C)(C)OC(N)=O.CC1CCC(CCCCO)CC1.
What is the InChIKey of tert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol?
The InChIKey is VNNLYCJJNFKMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O.C5H11NO2/c1-10-5-7-11(8-6-10)4-2-3-9-12;1-5(2,3)8-4(6)7/h10-12H,2-9H2,1H3;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol?
tert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol has a molecular weight of 287.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol is sourced from PubChem (CID 22106764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).