(E,4R)-1-azido-2-iodo-4-methyloct-2-ene

C9H16IN3 — CID 42631461

IUPAC(E,4R)-1-azido-2-iodo-4-methyloct-2-ene
SMILESCCCC[C@@H](C)/C=C(/I)CN=[N+]=[N-]
InChIInChI=1S/C9H16IN3/c1-3-4-5-8(2)6-9(10)7-12-13-11/h6,8H,3-5,7H2,1-2H3/b9-6+/t8-/m1/s1
InChIKeyYBWDJMWAIPZUKU-GTUWVTDSSA-N
MW293.15 g/mol
LogP4.44
Rot. Bonds6

About (E,4R)-1-azido-2-iodo-4-methyloct-2-ene

(E,4R)-1-azido-2-iodo-4-methyloct-2-ene (PubChem CID 42631461) has the molecular formula C9H16IN3 and a molecular weight of 293.15 g/mol. Its IUPAC name is (E,4R)-1-azido-2-iodo-4-methyloct-2-ene.

Molecular Properties

Compound Name(E,4R)-1-azido-2-iodo-4-methyloct-2-ene
PubChem CID42631461
Molecular FormulaC9H16IN3
Molecular Weight293.15 g/mol
Exact Mass293.04
IUPAC Name(E,4R)-1-azido-2-iodo-4-methyloct-2-ene
SMILESCCCC[C@@H](C)/C=C(/I)CN=[N+]=[N-]
InChIInChI=1S/C9H16IN3/c1-3-4-5-8(2)6-9(10)7-12-13-11/h6,8H,3-5,7H2,1-2H3/b9-6+/t8-/m1/s1
InChIKeyYBWDJMWAIPZUKU-GTUWVTDSSA-N
XLogP4.44
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-azido-N-heptan-2-ylacetamide
CID 61374566
1-azidohexan-2-ol
CID 11171039
1-azido-2-bromohexane
CID 134993142
1-azidobutane
CID 4563922
N-[1-[(2-azidoacetyl)amino]pentyl]prop-2-enamide
CID 171478476
2,4-dimethyldec-2-ene
CID 522542
magnesium;hydride;2-methylhexanal
CID 175489752
1,1-dibromo-3-methylnon-1-ene
CID 135202124
1-azidotriacontane
CID 71752669
1-azidohexadecane
CID 11230945
zinc;3-methanidylheptane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174937719
methyl 2-azidohexanoate
CID 22742063

Frequently Asked Questions

What is the IUPAC name of (E,4R)-1-azido-2-iodo-4-methyloct-2-ene?
The IUPAC name of (E,4R)-1-azido-2-iodo-4-methyloct-2-ene (CID 42631461) is (E,4R)-1-azido-2-iodo-4-methyloct-2-ene.
What is the SMILES notation for (E,4R)-1-azido-2-iodo-4-methyloct-2-ene?
The canonical SMILES for (E,4R)-1-azido-2-iodo-4-methyloct-2-ene is CCCC[C@@H](C)/C=C(/I)CN=[N+]=[N-].
What is the InChIKey of (E,4R)-1-azido-2-iodo-4-methyloct-2-ene?
The InChIKey is YBWDJMWAIPZUKU-GTUWVTDSSA-N. The full InChI is InChI=1S/C9H16IN3/c1-3-4-5-8(2)6-9(10)7-12-13-11/h6,8H,3-5,7H2,1-2H3/b9-6+/t8-/m1/s1.
What are the key properties of (E,4R)-1-azido-2-iodo-4-methyloct-2-ene?
(E,4R)-1-azido-2-iodo-4-methyloct-2-ene has a molecular weight of 293.15 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-1-azido-2-iodo-4-methyloct-2-ene is sourced from PubChem (CID 42631461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).