[1-[4-(hydroxymethyl)cyclohexyl]-2,2-dimethylpropyl]carbamic acid

C13H25NO3 — CID 66911218

IUPAC[1-[4-(hydroxymethyl)cyclohexyl]-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)C1CCC(CO)CC1
InChIInChI=1S/C13H25NO3/c1-13(2,3)11(14-12(16)17)10-6-4-9(8-15)5-7-10/h9-11,14-15H,4-8H2,1-3H3,(H,16,17)
InChIKeyFHVZCPFPWIYRGW-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.47
Rot. Bonds3

About [1-[4-(hydroxymethyl)cyclohexyl]-2,2-dimethylpropyl]carbamic acid

[1-[4-(hydroxymethyl)cyclohexyl]-2,2-dimethylpropyl]carbamic acid (PubChem CID 66911218) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [1-[4-(hydroxymethyl)cyclohexyl]-2,2-dimethylpropyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(hydroxymethyl)cyclohexyl]-2,2-dimethylpropyl]carbamic acid
PubChem CID66911218
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name[1-[4-(hydroxymethyl)cyclohexyl]-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)C1CCC(CO)CC1
InChIInChI=1S/C13H25NO3/c1-13(2,3)11(14-12(16)17)10-6-4-9(8-15)5-7-10/h9-11,14-15H,4-8H2,1-3H3,(H,16,17)
InChIKeyFHVZCPFPWIYRGW-UHFFFAOYSA-N
XLogP2.47
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(hydroxymethyl)cyclohexyl]-2,2-dimethylpropyl]carbamic acid?
The IUPAC name of [1-[4-(hydroxymethyl)cyclohexyl]-2,2-dimethylpropyl]carbamic acid (CID 66911218) is [1-[4-(hydroxymethyl)cyclohexyl]-2,2-dimethylpropyl]carbamic acid.
What is the SMILES notation for [1-[4-(hydroxymethyl)cyclohexyl]-2,2-dimethylpropyl]carbamic acid?
The canonical SMILES for [1-[4-(hydroxymethyl)cyclohexyl]-2,2-dimethylpropyl]carbamic acid is CC(C)(C)C(NC(=O)O)C1CCC(CO)CC1.
What is the InChIKey of [1-[4-(hydroxymethyl)cyclohexyl]-2,2-dimethylpropyl]carbamic acid?
The InChIKey is FHVZCPFPWIYRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(2,3)11(14-12(16)17)10-6-4-9(8-15)5-7-10/h9-11,14-15H,4-8H2,1-3H3,(H,16,17).
What are the key properties of [1-[4-(hydroxymethyl)cyclohexyl]-2,2-dimethylpropyl]carbamic acid?
[1-[4-(hydroxymethyl)cyclohexyl]-2,2-dimethylpropyl]carbamic acid has a molecular weight of 243.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(hydroxymethyl)cyclohexyl]-2,2-dimethylpropyl]carbamic acid is sourced from PubChem (CID 66911218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).