cyanic acid;3-methoxyhexane

C8H17NO2 — CID 88754292

IUPACcyanic acid;3-methoxyhexane
SMILESCCCC(CC)OC.N#CO
InChIInChI=1S/C7H16O.CHNO/c1-4-6-7(5-2)8-3;2-1-3/h7H,4-6H2,1-3H3;3H
InChIKeyVWFAGFPDLSDGHF-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.05
Rot. Bonds4

About cyanic acid;3-methoxyhexane

cyanic acid;3-methoxyhexane (PubChem CID 88754292) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is cyanic acid;3-methoxyhexane.

Molecular Properties

Compound Namecyanic acid;3-methoxyhexane
PubChem CID88754292
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namecyanic acid;3-methoxyhexane
SMILESCCCC(CC)OC.N#CO
InChIInChI=1S/C7H16O.CHNO/c1-4-6-7(5-2)8-3;2-1-3/h7H,4-6H2,1-3H3;3H
InChIKeyVWFAGFPDLSDGHF-UHFFFAOYSA-N
XLogP2.05
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

3-(1-methoxyethoxy)hexane
CID 145051636
1,2-dimethoxypentane
CID 22961171
5-methoxy-N-methyloctan-2-imine
CID 130391764
3-phosphanyloxyhexanenitrile
CID 18736618
7-methoxynonan-1-ol
CID 91306225
3-hexan-3-yloxyhexane;trimethoxysilane
CID 175116578
3-methoxyhexanoyl chloride
CID 123861555
(3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane
CID 89015746
hexan-3-yloxyalumane
CID 173043505
ethane;2-methoxybutan-1-ol
CID 174440725
(4S)-1-chloro-4-methoxyheptane
CID 97035520
1-chloro-4-methoxyheptane
CID 102547593

Frequently Asked Questions

What is the IUPAC name of cyanic acid;3-methoxyhexane?
The IUPAC name of cyanic acid;3-methoxyhexane (CID 88754292) is cyanic acid;3-methoxyhexane.
What is the SMILES notation for cyanic acid;3-methoxyhexane?
The canonical SMILES for cyanic acid;3-methoxyhexane is CCCC(CC)OC.N#CO.
What is the InChIKey of cyanic acid;3-methoxyhexane?
The InChIKey is VWFAGFPDLSDGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.CHNO/c1-4-6-7(5-2)8-3;2-1-3/h7H,4-6H2,1-3H3;3H.
What are the key properties of cyanic acid;3-methoxyhexane?
cyanic acid;3-methoxyhexane has a molecular weight of 159.23 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyanic acid;3-methoxyhexane is sourced from PubChem (CID 88754292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).