tert-butyl N-[(Z,2R)-1-hydroxynon-3-en-2-yl]carbamate

C14H27NO3 — CID 11536205

IUPACtert-butyl N-[(Z,2R)-1-hydroxynon-3-en-2-yl]carbamate
SMILESCCCCC/C=C\[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-5-6-7-8-9-10-12(11-16)15-13(17)18-14(2,3)4/h9-10,12,16H,5-8,11H2,1-4H3,(H,15,17)/b10-9-/t12-/m1/s1
InChIKeyDPCCIOJQBLBDLJ-ZWLSGLHFSA-N
MW257.37 g/mol
LogP3.01
Rot. Bonds7

About tert-butyl N-[(Z,2R)-1-hydroxynon-3-en-2-yl]carbamate

tert-butyl N-[(Z,2R)-1-hydroxynon-3-en-2-yl]carbamate (PubChem CID 11536205) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl N-[(Z,2R)-1-hydroxynon-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z,2R)-1-hydroxynon-3-en-2-yl]carbamate
PubChem CID11536205
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl N-[(Z,2R)-1-hydroxynon-3-en-2-yl]carbamate
SMILESCCCCC/C=C\[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-5-6-7-8-9-10-12(11-16)15-13(17)18-14(2,3)4/h9-10,12,16H,5-8,11H2,1-4H3,(H,15,17)/b10-9-/t12-/m1/s1
InChIKeyDPCCIOJQBLBDLJ-ZWLSGLHFSA-N
XLogP3.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z,2R)-1-hydroxynon-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(Z,2R)-1-hydroxynon-3-en-2-yl]carbamate (CID 11536205) is tert-butyl N-[(Z,2R)-1-hydroxynon-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z,2R)-1-hydroxynon-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(Z,2R)-1-hydroxynon-3-en-2-yl]carbamate is CCCCC/C=C\[C@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z,2R)-1-hydroxynon-3-en-2-yl]carbamate?
The InChIKey is DPCCIOJQBLBDLJ-ZWLSGLHFSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-6-7-8-9-10-12(11-16)15-13(17)18-14(2,3)4/h9-10,12,16H,5-8,11H2,1-4H3,(H,15,17)/b10-9-/t12-/m1/s1.
What are the key properties of tert-butyl N-[(Z,2R)-1-hydroxynon-3-en-2-yl]carbamate?
tert-butyl N-[(Z,2R)-1-hydroxynon-3-en-2-yl]carbamate has a molecular weight of 257.37 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z,2R)-1-hydroxynon-3-en-2-yl]carbamate is sourced from PubChem (CID 11536205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).