tert-butyl N-[(3S)-dec-1-en-3-yl]carbamate

C15H29NO2 — CID 134942276

IUPACtert-butyl N-[(3S)-dec-1-en-3-yl]carbamate
SMILESC=C[C@H](CCCCCCC)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-6-8-9-10-11-12-13(7-2)16-14(17)18-15(3,4)5/h7,13H,2,6,8-12H2,1,3-5H3,(H,16,17)/t13-/m1/s1
InChIKeyRWWWWEXJCSNQIH-CYBMUJFWSA-N
MW255.40 g/mol
LogP4.43
Rot. Bonds8

About tert-butyl N-[(3S)-dec-1-en-3-yl]carbamate

tert-butyl N-[(3S)-dec-1-en-3-yl]carbamate (PubChem CID 134942276) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is tert-butyl N-[(3S)-dec-1-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-dec-1-en-3-yl]carbamate
PubChem CID134942276
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nametert-butyl N-[(3S)-dec-1-en-3-yl]carbamate
SMILESC=C[C@H](CCCCCCC)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-6-8-9-10-11-12-13(7-2)16-14(17)18-15(3,4)5/h7,13H,2,6,8-12H2,1,3-5H3,(H,16,17)/t13-/m1/s1
InChIKeyRWWWWEXJCSNQIH-CYBMUJFWSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(3S)-dec-1-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-dec-1-en-3-yl]carbamate (CID 134942276) is tert-butyl N-[(3S)-dec-1-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-dec-1-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-dec-1-en-3-yl]carbamate is C=C[C@H](CCCCCCC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3S)-dec-1-en-3-yl]carbamate?
The InChIKey is RWWWWEXJCSNQIH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-8-9-10-11-12-13(7-2)16-14(17)18-15(3,4)5/h7,13H,2,6,8-12H2,1,3-5H3,(H,16,17)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(3S)-dec-1-en-3-yl]carbamate?
tert-butyl N-[(3S)-dec-1-en-3-yl]carbamate has a molecular weight of 255.40 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-dec-1-en-3-yl]carbamate is sourced from PubChem (CID 134942276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).