ethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate

C10H16O4 — CID 14101474

IUPACethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate
SMILESCCOC(=O)CC12CCCC(CO1)O2
InChIInChI=1S/C10H16O4/c1-2-12-9(11)6-10-5-3-4-8(14-10)7-13-10/h8H,2-7H2,1H3
InChIKeyMSNISJBKJIIIHP-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.24
Rot. Bonds3

About ethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate

ethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate (PubChem CID 14101474) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate
PubChem CID14101474
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate
SMILESCCOC(=O)CC12CCCC(CO1)O2
InChIInChI=1S/C10H16O4/c1-2-12-9(11)6-10-5-3-4-8(14-10)7-13-10/h8H,2-7H2,1H3
InChIKeyMSNISJBKJIIIHP-UHFFFAOYSA-N
XLogP1.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8a-Methoxy-3,3a,5,6,7,8-hexahydrofuro[3,2-b]oxepin-2-one
CID 11769237
Ethyl 2,2-difluoro-2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate
CID 163240151
Methyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
CID 14735319
methyl (5R,7S)-1,6-dioxaspiro[4.5]decane-7-carboxylate
CID 15946863
ethyl 2-[(4R,6R)-2,2-dimethyl-6-pentyl-1,3-dioxan-4-yl]acetate
CID 25059017
methyl 2-[(1S,3S,5S)-3-methoxy-6,8-dioxabicyclo[3.2.1]octan-5-yl]acetate
CID 101055956
Ethyl 2-(2-methoxyoxan-2-yl)acetate
CID 102422761
(1'R,5'S,7'S,11'R)-7'-methoxy-5'-propylspiro[1,3-dioxolane-2,13'-4,15-dioxabicyclo[9.3.1]pentadecane]-3'-one
CID 134844305
(1'S,5'S,7'S,11'S)-7'-methoxy-5'-propylspiro[1,3-dioxolane-2,13'-4,15-dioxabicyclo[9.3.1]pentadecane]-3'-one
CID 134844308
ethyl 2-[(1S,4R,5S)-1-hexyl-2,3,8-trioxabicyclo[3.2.1]octan-4-yl]acetate
CID 134928373
Ethyl 7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane-4-carboxylate
CID 540246
7-Ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 13429320

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate?
The IUPAC name of ethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate (CID 14101474) is ethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate.
What is the SMILES notation for ethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate?
The canonical SMILES for ethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate is CCOC(=O)CC12CCCC(CO1)O2.
What is the InChIKey of ethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate?
The InChIKey is MSNISJBKJIIIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-12-9(11)6-10-5-3-4-8(14-10)7-13-10/h8H,2-7H2,1H3.
What are the key properties of ethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate?
ethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate has a molecular weight of 200.23 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6,8-dioxabicyclo[3.2.1]octan-5-yl)acetate is sourced from PubChem (CID 14101474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).