methyl (2-oxo-oxacyclohexadec-3-yl) carbonate

C17H30O5 — CID 139610370

IUPACmethyl (2-oxo-oxacyclohexadec-3-yl) carbonate
SMILESCOC(=O)OC1CCCCCCCCCCCCCOC1=O
InChIInChI=1S/C17H30O5/c1-20-17(19)22-15-13-11-9-7-5-3-2-4-6-8-10-12-14-21-16(15)18/h15H,2-14H2,1H3
InChIKeyXBRGSQSQYZNPMY-UHFFFAOYSA-N
MW314.42 g/mol
LogP4.38
Rot. Bonds1

About methyl (2-oxo-oxacyclohexadec-3-yl) carbonate

methyl (2-oxo-oxacyclohexadec-3-yl) carbonate (PubChem CID 139610370) has the molecular formula C17H30O5 and a molecular weight of 314.42 g/mol. Its IUPAC name is methyl (2-oxo-oxacyclohexadec-3-yl) carbonate.

Molecular Properties

Compound Namemethyl (2-oxo-oxacyclohexadec-3-yl) carbonate
PubChem CID139610370
Molecular FormulaC17H30O5
Molecular Weight314.42 g/mol
Exact Mass314.21
IUPAC Namemethyl (2-oxo-oxacyclohexadec-3-yl) carbonate
SMILESCOC(=O)OC1CCCCCCCCCCCCCOC1=O
InChIInChI=1S/C17H30O5/c1-20-17(19)22-15-13-11-9-7-5-3-2-4-6-8-10-12-14-21-16(15)18/h15H,2-14H2,1H3
InChIKeyXBRGSQSQYZNPMY-UHFFFAOYSA-N
XLogP4.38
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-4-oxo-4-(2-oxooxepan-3-yl)oxybut-2-enoic acid
CID 167364873
9-O-methyl 10-O-(2-oxooxan-3-yl) anthracene-9,10-dicarboxylate
CID 88949583
3-(1-hydroxyethyl)oxepan-2-one
CID 130122334
(2-oxooxan-3-yl) hexanoate
CID 154966078
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
(2-oxooxan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate
CID 59502978
3-prop-1-en-2-yloxyoxolan-2-one
CID 145146780
ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 143365262
[(3R)-2-oxooxolan-3-yl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 7812138
(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-methylpropanoate
CID 58225852
methyl (3R)-2-oxooxolane-3-carboxylate
CID 86310576
[(3R)-2-oxooxolan-3-yl] 4-acetamidobenzoate
CID 2122814

Frequently Asked Questions

What is the IUPAC name of methyl (2-oxo-oxacyclohexadec-3-yl) carbonate?
The IUPAC name of methyl (2-oxo-oxacyclohexadec-3-yl) carbonate (CID 139610370) is methyl (2-oxo-oxacyclohexadec-3-yl) carbonate.
What is the SMILES notation for methyl (2-oxo-oxacyclohexadec-3-yl) carbonate?
The canonical SMILES for methyl (2-oxo-oxacyclohexadec-3-yl) carbonate is COC(=O)OC1CCCCCCCCCCCCCOC1=O.
What is the InChIKey of methyl (2-oxo-oxacyclohexadec-3-yl) carbonate?
The InChIKey is XBRGSQSQYZNPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O5/c1-20-17(19)22-15-13-11-9-7-5-3-2-4-6-8-10-12-14-21-16(15)18/h15H,2-14H2,1H3.
What are the key properties of methyl (2-oxo-oxacyclohexadec-3-yl) carbonate?
methyl (2-oxo-oxacyclohexadec-3-yl) carbonate has a molecular weight of 314.42 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2-oxo-oxacyclohexadec-3-yl) carbonate is sourced from PubChem (CID 139610370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).