6-methoxycarbonyloxyhexyl methyl carbonate

C10H18O6 — CID 20656357

IUPAC6-methoxycarbonyloxyhexyl methyl carbonate
SMILESCOC(=O)OCCCCCCOC(=O)OC
InChIInChI=1S/C10H18O6/c1-13-9(11)15-7-5-3-4-6-8-16-10(12)14-2/h3-8H2,1-2H3
InChIKeyIBASVVUYCWBJTL-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.11
Rot. Bonds7

About 6-methoxycarbonyloxyhexyl methyl carbonate

6-methoxycarbonyloxyhexyl methyl carbonate (PubChem CID 20656357) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is 6-methoxycarbonyloxyhexyl methyl carbonate.

Molecular Properties

Compound Name6-methoxycarbonyloxyhexyl methyl carbonate
PubChem CID20656357
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name6-methoxycarbonyloxyhexyl methyl carbonate
SMILESCOC(=O)OCCCCCCOC(=O)OC
InChIInChI=1S/C10H18O6/c1-13-9(11)15-7-5-3-4-6-8-16-10(12)14-2/h3-8H2,1-2H3
InChIKeyIBASVVUYCWBJTL-UHFFFAOYSA-N
XLogP2.11
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.11
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

7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
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 6-methoxycarbonyloxyhexyl methyl carbonate?
The IUPAC name of 6-methoxycarbonyloxyhexyl methyl carbonate (CID 20656357) is 6-methoxycarbonyloxyhexyl methyl carbonate.
What is the SMILES notation for 6-methoxycarbonyloxyhexyl methyl carbonate?
The canonical SMILES for 6-methoxycarbonyloxyhexyl methyl carbonate is COC(=O)OCCCCCCOC(=O)OC.
What is the InChIKey of 6-methoxycarbonyloxyhexyl methyl carbonate?
The InChIKey is IBASVVUYCWBJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c1-13-9(11)15-7-5-3-4-6-8-16-10(12)14-2/h3-8H2,1-2H3.
What are the key properties of 6-methoxycarbonyloxyhexyl methyl carbonate?
6-methoxycarbonyloxyhexyl methyl carbonate has a molecular weight of 234.25 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxycarbonyloxyhexyl methyl carbonate is sourced from PubChem (CID 20656357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).