(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-[4-[1-(2-hydroxyethoxy)ethyl]-2,5-dioxooxolan-3-yl]propanoate;methane

C27H50O7 — CID 157070351

IUPAC(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-[4-[1-(2-hydroxyethoxy)ethyl]-2,5-dioxooxolan-3-yl]propanoate;methane
SMILESC.C.C.C.CCC1(OC(=O)C(C)C2C(=O)OC(=O)C2C(C)OCCO)CC2CC1C1CCCC21
InChIInChI=1S/C23H34O7.4CH4/c1-4-23(11-14-10-17(23)16-7-5-6-15(14)16)30-20(25)12(2)18-19(13(3)28-9-8-24)22(27)29-21(18)26;;;;/h12-19,24H,4-11H2,1-3H3;4*1H4
InChIKeyACIVSLKNNZTVFD-UHFFFAOYSA-N
MW486.69 g/mol
LogP5.03
Rot. Bonds8

About (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-[4-[1-(2-hydroxyethoxy)ethyl]-2,5-dioxooxolan-3-yl]propanoate;methane

(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-[4-[1-(2-hydroxyethoxy)ethyl]-2,5-dioxooxolan-3-yl]propanoate;methane (PubChem CID 157070351) has the molecular formula C27H50O7 and a molecular weight of 486.69 g/mol. Its IUPAC name is (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-[4-[1-(2-hydroxyethoxy)ethyl]-2,5-dioxooxolan-3-yl]propanoate;methane.

Molecular Properties

Compound Name(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-[4-[1-(2-hydroxyethoxy)ethyl]-2,5-dioxooxolan-3-yl]propanoate;methane
PubChem CID157070351
Molecular FormulaC27H50O7
Molecular Weight486.69 g/mol
Exact Mass486.36
IUPAC Name(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-[4-[1-(2-hydroxyethoxy)ethyl]-2,5-dioxooxolan-3-yl]propanoate;methane
SMILESC.C.C.C.CCC1(OC(=O)C(C)C2C(=O)OC(=O)C2C(C)OCCO)CC2CC1C1CCCC21
InChIInChI=1S/C23H34O7.4CH4/c1-4-23(11-14-10-17(23)16-7-5-6-15(14)16)30-20(25)12(2)18-19(13(3)28-9-8-24)22(27)29-21(18)26;;;;/h12-19,24H,4-11H2,1-3H3;4*1H4
InChIKeyACIVSLKNNZTVFD-UHFFFAOYSA-N
XLogP5.03
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.69
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-[4-[1-(2-hydroxyethoxy)ethyl]-2,5-dioxooxolan-3-yl]propanoate;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-[4-[1-(2-hydroxyethoxy)ethyl]-2,5-dioxooxolan-3-yl]propanoate
CID 20783107
(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(trifluoromethyl)prop-2-enoate
CID 58823592
(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 5-methyl-6-[3-methyl-5-(2-oxooxolan-3-yl)oxycarbonyl-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 18346406
2-[4-[5-[(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl)oxycarbonyl]-2-oxooxolan-3-yl]oxy-4-oxobutanoyl]oxy-1,1-difluoropropane-1-sulfonic acid
CID 154992443
butan-2-yloxycyclohexane;3,4-dimethyloxolane-2,5-dione;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;methane;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylbutanoate
CID 161449014
(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 5-[3-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl]-6-(4-methyl-2,5-dioxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxylate
CID 21349242
(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate
CID 90805182
(8-butyl-8-tricyclo[5.2.1.02,6]decanyl) 2-ethyl-2,4-dimethylpentanoate
CID 144994512
CID 147064246
CID 147064246
(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate
CID 90731930
4,4-dihydroxybutan-2-yl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;bis((2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate);(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;2-hydroxyethyl 2,2-dimethylbutanoate;methane;(2-methyl-5-oxooxolan-2-yl) 2,2-dimethylbutanoate;bis((2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate)
CID 157406604
8-(2-propan-2-yloxyethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 115002008

Frequently Asked Questions

What is the IUPAC name of (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-[4-[1-(2-hydroxyethoxy)ethyl]-2,5-dioxooxolan-3-yl]propanoate;methane?
The IUPAC name of (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-[4-[1-(2-hydroxyethoxy)ethyl]-2,5-dioxooxolan-3-yl]propanoate;methane (CID 157070351) is (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-[4-[1-(2-hydroxyethoxy)ethyl]-2,5-dioxooxolan-3-yl]propanoate;methane.
What is the SMILES notation for (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-[4-[1-(2-hydroxyethoxy)ethyl]-2,5-dioxooxolan-3-yl]propanoate;methane?
The canonical SMILES for (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-[4-[1-(2-hydroxyethoxy)ethyl]-2,5-dioxooxolan-3-yl]propanoate;methane is C.C.C.C.CCC1(OC(=O)C(C)C2C(=O)OC(=O)C2C(C)OCCO)CC2CC1C1CCCC21.
What is the InChIKey of (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-[4-[1-(2-hydroxyethoxy)ethyl]-2,5-dioxooxolan-3-yl]propanoate;methane?
The InChIKey is ACIVSLKNNZTVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O7.4CH4/c1-4-23(11-14-10-17(23)16-7-5-6-15(14)16)30-20(25)12(2)18-19(13(3)28-9-8-24)22(27)29-21(18)26;;;;/h12-19,24H,4-11H2,1-3H3;4*1H4.
What are the key properties of (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-[4-[1-(2-hydroxyethoxy)ethyl]-2,5-dioxooxolan-3-yl]propanoate;methane?
(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-[4-[1-(2-hydroxyethoxy)ethyl]-2,5-dioxooxolan-3-yl]propanoate;methane has a molecular weight of 486.69 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-[4-[1-(2-hydroxyethoxy)ethyl]-2,5-dioxooxolan-3-yl]propanoate;methane is sourced from PubChem (CID 157070351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).