7-methoxycarbonyloxyheptyl methyl carbonate

C11H20O6 — CID 162779746

IUPAC7-methoxycarbonyloxyheptyl methyl carbonate
SMILESCOC(=O)OCCCCCCCOC(=O)OC
InChIInChI=1S/C11H20O6/c1-14-10(12)16-8-6-4-3-5-7-9-17-11(13)15-2/h3-9H2,1-2H3
InChIKeyYVEAZYCIJVBPGN-UHFFFAOYSA-N
MW248.27 g/mol
LogP2.50
Rot. Bonds8

About 7-methoxycarbonyloxyheptyl methyl carbonate

7-methoxycarbonyloxyheptyl methyl carbonate (PubChem CID 162779746) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is 7-methoxycarbonyloxyheptyl methyl carbonate.

Molecular Properties

Compound Name7-methoxycarbonyloxyheptyl methyl carbonate
PubChem CID162779746
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name7-methoxycarbonyloxyheptyl methyl carbonate
SMILESCOC(=O)OCCCCCCCOC(=O)OC
InChIInChI=1S/C11H20O6/c1-14-10(12)16-8-6-4-3-5-7-9-17-11(13)15-2/h3-9H2,1-2H3
InChIKeyYVEAZYCIJVBPGN-UHFFFAOYSA-N
XLogP2.50
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
azane;methyl tetradecyl carbonate
CID 118914581
5-chloropentyl methyl carbonate
CID 103970733
4-(2-methoxyethoxy)butyl methyl carbonate
CID 87247594
10-(dimethylamino)decyl methyl carbonate;ethane
CID 177226338
6-methoxyhexyl 8-methoxyoctyl carbonate
CID 131971124
5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate
CID 91693764
methyl 6-methylheptyl carbonate;prop-2-enoic acid
CID 175279781
heptyl octyl carbonate
CID 21498015
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622

Frequently Asked Questions

What is the IUPAC name of 7-methoxycarbonyloxyheptyl methyl carbonate?
The IUPAC name of 7-methoxycarbonyloxyheptyl methyl carbonate (CID 162779746) is 7-methoxycarbonyloxyheptyl methyl carbonate.
What is the SMILES notation for 7-methoxycarbonyloxyheptyl methyl carbonate?
The canonical SMILES for 7-methoxycarbonyloxyheptyl methyl carbonate is COC(=O)OCCCCCCCOC(=O)OC.
What is the InChIKey of 7-methoxycarbonyloxyheptyl methyl carbonate?
The InChIKey is YVEAZYCIJVBPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O6/c1-14-10(12)16-8-6-4-3-5-7-9-17-11(13)15-2/h3-9H2,1-2H3.
What are the key properties of 7-methoxycarbonyloxyheptyl methyl carbonate?
7-methoxycarbonyloxyheptyl methyl carbonate has a molecular weight of 248.27 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxycarbonyloxyheptyl methyl carbonate is sourced from PubChem (CID 162779746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).