(2-ethyl-3-hydroxypentyl) N-tert-butylcarbamate

C12H25NO3 — CID 90784136

IUPAC(2-ethyl-3-hydroxypentyl) N-tert-butylcarbamate
SMILESCCC(O)C(CC)COC(=O)NC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-6-9(10(14)7-2)8-16-11(15)13-12(3,4)5/h9-10,14H,6-8H2,1-5H3,(H,13,15)
InChIKeySRPMCHHJPKIASW-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.31
Rot. Bonds5

About (2-ethyl-3-hydroxypentyl) N-tert-butylcarbamate

(2-ethyl-3-hydroxypentyl) N-tert-butylcarbamate (PubChem CID 90784136) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (2-ethyl-3-hydroxypentyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(2-ethyl-3-hydroxypentyl) N-tert-butylcarbamate
PubChem CID90784136
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name(2-ethyl-3-hydroxypentyl) N-tert-butylcarbamate
SMILESCCC(O)C(CC)COC(=O)NC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-6-9(10(14)7-2)8-16-11(15)13-12(3,4)5/h9-10,14H,6-8H2,1-5H3,(H,13,15)
InChIKeySRPMCHHJPKIASW-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3-hydroxypentyl) N-tert-butylcarbamate?
The IUPAC name of (2-ethyl-3-hydroxypentyl) N-tert-butylcarbamate (CID 90784136) is (2-ethyl-3-hydroxypentyl) N-tert-butylcarbamate.
What is the SMILES notation for (2-ethyl-3-hydroxypentyl) N-tert-butylcarbamate?
The canonical SMILES for (2-ethyl-3-hydroxypentyl) N-tert-butylcarbamate is CCC(O)C(CC)COC(=O)NC(C)(C)C.
What is the InChIKey of (2-ethyl-3-hydroxypentyl) N-tert-butylcarbamate?
The InChIKey is SRPMCHHJPKIASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-6-9(10(14)7-2)8-16-11(15)13-12(3,4)5/h9-10,14H,6-8H2,1-5H3,(H,13,15).
What are the key properties of (2-ethyl-3-hydroxypentyl) N-tert-butylcarbamate?
(2-ethyl-3-hydroxypentyl) N-tert-butylcarbamate has a molecular weight of 231.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3-hydroxypentyl) N-tert-butylcarbamate is sourced from PubChem (CID 90784136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).