(3R)-3-ethyl-1-iodo-6-methoxyhexane

C9H19IO — CID 118973008

IUPAC(3R)-3-ethyl-1-iodo-6-methoxyhexane
SMILESCC[C@@H](CCI)CCCOC
InChIInChI=1S/C9H19IO/c1-3-9(6-7-10)5-4-8-11-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyYHDPJHBAIHVBPB-SECBINFHSA-N
MW270.15 g/mol
LogP3.26
Rot. Bonds7

About (3R)-3-ethyl-1-iodo-6-methoxyhexane

(3R)-3-ethyl-1-iodo-6-methoxyhexane (PubChem CID 118973008) has the molecular formula C9H19IO and a molecular weight of 270.15 g/mol. Its IUPAC name is (3R)-3-ethyl-1-iodo-6-methoxyhexane.

Molecular Properties

Compound Name(3R)-3-ethyl-1-iodo-6-methoxyhexane
PubChem CID118973008
Molecular FormulaC9H19IO
Molecular Weight270.15 g/mol
Exact Mass270.05
IUPAC Name(3R)-3-ethyl-1-iodo-6-methoxyhexane
SMILESCC[C@@H](CCI)CCCOC
InChIInChI=1S/C9H19IO/c1-3-9(6-7-10)5-4-8-11-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyYHDPJHBAIHVBPB-SECBINFHSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1,11-dimethoxyundecane
CID 171750193
2-ethyl-5-methoxypentan-1-ol
CID 66059836
(2R)-2-ethyl-5-methoxypentan-1-ol
CID 59157920
N-tert-butyl-2-ethyl-5-methoxypentan-1-amine
CID 62515551
(3R)-3-ethyl-1-methoxynonane
CID 118890071
5-methoxy-2-propylpentan-1-ol
CID 66060260
N-(2-ethyl-6-methoxyhexyl)cyclopropanamine
CID 104649189
(6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine
CID 118890313
(5R)-N,N,5-triethyl-7-methoxyheptan-1-amine
CID 118890299
(2S)-5-methoxypentan-2-amine
CID 93315322
N-tert-butyl-2-ethyl-5-(2-methoxyethoxy)pentan-1-amine
CID 103412332
(6-ethyl-1-methoxydecan-4-yl)hydrazine
CID 105224979

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-1-iodo-6-methoxyhexane?
The IUPAC name of (3R)-3-ethyl-1-iodo-6-methoxyhexane (CID 118973008) is (3R)-3-ethyl-1-iodo-6-methoxyhexane.
What is the SMILES notation for (3R)-3-ethyl-1-iodo-6-methoxyhexane?
The canonical SMILES for (3R)-3-ethyl-1-iodo-6-methoxyhexane is CC[C@@H](CCI)CCCOC.
What is the InChIKey of (3R)-3-ethyl-1-iodo-6-methoxyhexane?
The InChIKey is YHDPJHBAIHVBPB-SECBINFHSA-N. The full InChI is InChI=1S/C9H19IO/c1-3-9(6-7-10)5-4-8-11-2/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-3-ethyl-1-iodo-6-methoxyhexane?
(3R)-3-ethyl-1-iodo-6-methoxyhexane has a molecular weight of 270.15 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-1-iodo-6-methoxyhexane is sourced from PubChem (CID 118973008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).