2-chloropropan-2-yl(octan-2-yl)diazene

C11H23ClN2 — CID 21387185

IUPAC2-chloropropan-2-yl(octan-2-yl)diazene
SMILESCCCCCCC(C)/N=N/C(C)(C)Cl
InChIInChI=1S/C11H23ClN2/c1-5-6-7-8-9-10(2)13-14-11(3,4)12/h10H,5-9H2,1-4H3/b14-13+
InChIKeyMLSCXDLJRQRDHI-BUHFOSPRSA-N
MW218.77 g/mol
LogP4.77
Rot. Bonds7

About 2-chloropropan-2-yl(octan-2-yl)diazene

2-chloropropan-2-yl(octan-2-yl)diazene (PubChem CID 21387185) has the molecular formula C11H23ClN2 and a molecular weight of 218.77 g/mol. Its IUPAC name is 2-chloropropan-2-yl(octan-2-yl)diazene.

Molecular Properties

Compound Name2-chloropropan-2-yl(octan-2-yl)diazene
PubChem CID21387185
Molecular FormulaC11H23ClN2
Molecular Weight218.77 g/mol
Exact Mass218.15
IUPAC Name2-chloropropan-2-yl(octan-2-yl)diazene
SMILESCCCCCCC(C)/N=N/C(C)(C)Cl
InChIInChI=1S/C11H23ClN2/c1-5-6-7-8-9-10(2)13-14-11(3,4)12/h10H,5-9H2,1-4H3/b14-13+
InChIKeyMLSCXDLJRQRDHI-BUHFOSPRSA-N
XLogP4.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-methoxypropan-2-yl(pentadecan-2-yl)diazene
CID 21387369
2-methoxypropan-2-yl(octan-2-yl)diazene
CID 21387116
di(octan-2-yl)diazene
CID 139695075
2-chloro-2,3-dimethyltridecane
CID 87222996
2-chloro-2,3-dimethylnonane
CID 87897655
2,2,3-trimethylundecane
CID 21285055
3-chloro-2-methyltetradecane
CID 63459285
(2R)-2-azidohexadecane
CID 174670947
(2S)-2-azidononane
CID 102115708
9-(2-chloropropan-2-yl)heptadecane
CID 151028033
9-(2-chloropropan-2-yl)heptacosane
CID 151482832
3-chloro-2,2-dimethylhexadecane
CID 63461295

Frequently Asked Questions

What is the IUPAC name of 2-chloropropan-2-yl(octan-2-yl)diazene?
The IUPAC name of 2-chloropropan-2-yl(octan-2-yl)diazene (CID 21387185) is 2-chloropropan-2-yl(octan-2-yl)diazene.
What is the SMILES notation for 2-chloropropan-2-yl(octan-2-yl)diazene?
The canonical SMILES for 2-chloropropan-2-yl(octan-2-yl)diazene is CCCCCCC(C)/N=N/C(C)(C)Cl.
What is the InChIKey of 2-chloropropan-2-yl(octan-2-yl)diazene?
The InChIKey is MLSCXDLJRQRDHI-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H23ClN2/c1-5-6-7-8-9-10(2)13-14-11(3,4)12/h10H,5-9H2,1-4H3/b14-13+.
What are the key properties of 2-chloropropan-2-yl(octan-2-yl)diazene?
2-chloropropan-2-yl(octan-2-yl)diazene has a molecular weight of 218.77 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropropan-2-yl(octan-2-yl)diazene is sourced from PubChem (CID 21387185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).