methyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate

C15H24O6 — CID 14735319

IUPACmethyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
SMILESCOC(=O)CC1CCCC2(CCCC(CC(=O)OC)O2)O1
InChIInChI=1S/C15H24O6/c1-18-13(16)9-11-5-3-7-15(20-11)8-4-6-12(21-15)10-14(17)19-2/h11-12H,3-10H2,1-2H3
InChIKeySDEILWDWHVNTDI-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.95
Rot. Bonds4

About methyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate

methyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate (PubChem CID 14735319) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is methyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
PubChem CID14735319
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Namemethyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
SMILESCOC(=O)CC1CCCC2(CCCC(CC(=O)OC)O2)O1
InChIInChI=1S/C15H24O6/c1-18-13(16)9-11-5-3-7-15(20-11)8-4-6-12(21-15)10-14(17)19-2/h11-12H,3-10H2,1-2H3
InChIKeySDEILWDWHVNTDI-UHFFFAOYSA-N
XLogP1.95
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Cryptocaryolone diacetate
CID 11771797
[(2R,4R)-4-acetyloxy-5-[(1R,3S,5S)-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-3-yl]pentan-2-yl] acetate
CID 162957292
1,7-Dioxaspiro[5.5]undecan-4-one
CID 11217490
2-[(2S,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]acetic acid
CID 10889255
(-)-Crytpocaryolone diacetate
CID 11255915
methyl 2-[(4S,6R)-2,2-dimethyl-6-tridecyl-1,3-dioxan-4-yl]acetate
CID 11474186
Ethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate
CID 14101474
ethyl 2-[(4R,6R)-2,2-dimethyl-6-pentyl-1,3-dioxan-4-yl]acetate
CID 25059017
2-[(4R,6R)-2,2-dimethyl-6-pentyl-1,3-dioxan-4-yl]acetic acid
CID 25059018
methyl 2-[(2S,4R)-2-methoxy-4-(methoxymethoxy)oxan-2-yl]acetate
CID 101055946
Ethyl 2-(2-methoxyoxan-2-yl)acetate
CID 102422761
(6S)-6-pentyl-1,3-dioxan-4-one
CID 131848789

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate?
The IUPAC name of methyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate (CID 14735319) is methyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate?
The canonical SMILES for methyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate is COC(=O)CC1CCCC2(CCCC(CC(=O)OC)O2)O1.
What is the InChIKey of methyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate?
The InChIKey is SDEILWDWHVNTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6/c1-18-13(16)9-11-5-3-7-15(20-11)8-4-6-12(21-15)10-14(17)19-2/h11-12H,3-10H2,1-2H3.
What are the key properties of methyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate?
methyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate has a molecular weight of 300.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate is sourced from PubChem (CID 14735319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).