6-methoxyhexyl 8-methoxyoctyl carbonate

C17H34O5 — CID 131971124

IUPAC6-methoxyhexyl 8-methoxyoctyl carbonate
SMILESCOCCCCCCCCOC(=O)OCCCCCCOC
InChIInChI=1S/C17H34O5/c1-19-13-9-5-3-4-6-11-15-21-17(18)22-16-12-8-7-10-14-20-2/h3-16H2,1-2H3
InChIKeyOJBQREUAGCQYQR-UHFFFAOYSA-N
MW318.45 g/mol
LogP4.33
Rot. Bonds16

About 6-methoxyhexyl 8-methoxyoctyl carbonate

6-methoxyhexyl 8-methoxyoctyl carbonate (PubChem CID 131971124) has the molecular formula C17H34O5 and a molecular weight of 318.45 g/mol. Its IUPAC name is 6-methoxyhexyl 8-methoxyoctyl carbonate.

Molecular Properties

Compound Name6-methoxyhexyl 8-methoxyoctyl carbonate
PubChem CID131971124
Molecular FormulaC17H34O5
Molecular Weight318.45 g/mol
Exact Mass318.24
IUPAC Name6-methoxyhexyl 8-methoxyoctyl carbonate
SMILESCOCCCCCCCCOC(=O)OCCCCCCOC
InChIInChI=1S/C17H34O5/c1-19-13-9-5-3-4-6-11-15-21-17(18)22-16-12-8-7-10-14-20-2/h3-16H2,1-2H3
InChIKeyOJBQREUAGCQYQR-UHFFFAOYSA-N
XLogP4.33
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate
CID 91693764
butyl 3-methoxypropyl carbonate
CID 87247582
6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
butyl 2-methoxyethyl carbonate;hydrochloride
CID 169424294
6-methoxyhexyl 2-methylpropanoate
CID 135199835
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503

Frequently Asked Questions

What is the IUPAC name of 6-methoxyhexyl 8-methoxyoctyl carbonate?
The IUPAC name of 6-methoxyhexyl 8-methoxyoctyl carbonate (CID 131971124) is 6-methoxyhexyl 8-methoxyoctyl carbonate.
What is the SMILES notation for 6-methoxyhexyl 8-methoxyoctyl carbonate?
The canonical SMILES for 6-methoxyhexyl 8-methoxyoctyl carbonate is COCCCCCCCCOC(=O)OCCCCCCOC.
What is the InChIKey of 6-methoxyhexyl 8-methoxyoctyl carbonate?
The InChIKey is OJBQREUAGCQYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O5/c1-19-13-9-5-3-4-6-11-15-21-17(18)22-16-12-8-7-10-14-20-2/h3-16H2,1-2H3.
What are the key properties of 6-methoxyhexyl 8-methoxyoctyl carbonate?
6-methoxyhexyl 8-methoxyoctyl carbonate has a molecular weight of 318.45 g/mol, XLogP of 4.33, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyhexyl 8-methoxyoctyl carbonate is sourced from PubChem (CID 131971124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).