tert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate

C15H27NO2 — CID 132585355

IUPACtert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate
SMILESCCCCCC/C=C/C=C/NC(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO2/c1-5-6-7-8-9-10-11-12-13-16-14(17)18-15(2,3)4/h10-13H,5-9H2,1-4H3,(H,16,17)/b11-10+,13-12+
InChIKeyCUVHZBIXMXBNII-AQASXUMVSA-N
MW253.39 g/mol
LogP4.55
Rot. Bonds7

About tert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate

tert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate (PubChem CID 132585355) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is tert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate
PubChem CID132585355
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nametert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate
SMILESCCCCCC/C=C/C=C/NC(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO2/c1-5-6-7-8-9-10-11-12-13-16-14(17)18-15(2,3)4/h10-13H,5-9H2,1-4H3,(H,16,17)/b11-10+,13-12+
InChIKeyCUVHZBIXMXBNII-AQASXUMVSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-methylcarbamate;(Z)-hexadec-8-ene
CID 176669874
2-methyl-N-tetracosa-1,3-dienylprop-2-enamide
CID 163255501
N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide
CID 163255517
tert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate
CID 135045437
tert-butyl dec-2-enoate
CID 71411738
tert-butyl N-[(E,2R)-1-hydroxyundec-5-en-2-yl]carbamate
CID 101033038
tert-butyl (Z)-triacont-21-enoate
CID 132563275
tert-butyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]undec-4-enoate
CID 10665908
octa-1,3-dienylcarbamothioic S-acid
CID 173191991
tert-butyl N-[(E,3S)-2-methyl-4-oxononadec-5-en-3-yl]carbamate
CID 58517092
N-[(E)-dec-1-enyl]acetamide
CID 87894534
(22E)-heptatetraconta-22,24-diene
CID 56629131

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate?
The IUPAC name of tert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate (CID 132585355) is tert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate?
The canonical SMILES for tert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate is CCCCCC/C=C/C=C/NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate?
The InChIKey is CUVHZBIXMXBNII-AQASXUMVSA-N. The full InChI is InChI=1S/C15H27NO2/c1-5-6-7-8-9-10-11-12-13-16-14(17)18-15(2,3)4/h10-13H,5-9H2,1-4H3,(H,16,17)/b11-10+,13-12+.
What are the key properties of tert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate?
tert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate has a molecular weight of 253.39 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate is sourced from PubChem (CID 132585355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).