8-ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one

C10H14O3 — CID 131983355

IUPAC8-ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one
SMILESCCC1CC2CC1C1OC(=O)OC21
InChIInChI=1S/C10H14O3/c1-2-5-3-6-4-7(5)9-8(6)12-10(11)13-9/h5-9H,2-4H2,1H3
InChIKeySATMHEBKNYULBN-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.96
Rot. Bonds1

About 8-ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one

8-ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one (PubChem CID 131983355) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 8-ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one.

Molecular Properties

Compound Name8-ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one
PubChem CID131983355
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name8-ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one
SMILESCCC1CC2CC1C1OC(=O)OC21
InChIInChI=1S/C10H14O3/c1-2-5-3-6-4-7(5)9-8(6)12-10(11)13-9/h5-9H,2-4H2,1H3
InChIKeySATMHEBKNYULBN-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-(4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-8-yl)propanoate
CID 85408959
(1R,2S,6R,7S)-1,10,10-trimethyl-2-(trifluoromethyl)-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one
CID 102394457
4,5-Dimethyl-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-11-one
CID 20762824
3,5-Dioxatricyclo[5.2.1.02,6]decan-4-one
CID 57959351
Spiro[1,3-dioxolane-4,2'-bicyclo[2.2.1]heptane]-2-one
CID 58040887
4,6-Dioxatetracyclo[8.2.1.02,9.03,7]tridecan-5-one
CID 58108179
10,12-Dioxatetracyclo[6.5.1.02,7.09,13]tetradecan-11-one
CID 68020703
8-Ethyl-4-propyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 68272938
4-Ethyl-4,8,9-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 71126793
10-Methyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one
CID 89259422
10,12-Dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-11-one
CID 89900860
8-(Prop-1-en-2-yloxymethyl)-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one
CID 89975459

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one?
The IUPAC name of 8-ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one (CID 131983355) is 8-ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one.
What is the SMILES notation for 8-ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one?
The canonical SMILES for 8-ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one is CCC1CC2CC1C1OC(=O)OC21.
What is the InChIKey of 8-ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one?
The InChIKey is SATMHEBKNYULBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-5-3-6-4-7(5)9-8(6)12-10(11)13-9/h5-9H,2-4H2,1H3.
What are the key properties of 8-ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one?
8-ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one has a molecular weight of 182.22 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one is sourced from PubChem (CID 131983355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).