(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-propan-2-ylpentanoate;ruthenium(2+)

C24H34O4Ru — CID 163648316

IUPAC(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-propan-2-ylpentanoate;ruthenium(2+)
SMILESC[CH-]C[C-](C(=O)OC1C(C)C2CC1C1C2C2CC1C1(COC(=O)C1)C2)C(C)C.[Ru+2]
InChIInChI=1S/C24H34O4.Ru/c1-5-6-15(12(2)3)23(26)28-22-13(4)16-8-17(22)21-18-7-14(20(16)21)9-24(18)10-19(25)27-11-24;/h5,12-14,16-18,20-22H,6-11H2,1-4H3;/q-2;+2
InChIKeyROFYWZBZQSVDCH-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.23
Rot. Bonds5

About (5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-propan-2-ylpentanoate;ruthenium(2+)

(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-propan-2-ylpentanoate;ruthenium(2+) (PubChem CID 163648316) has the molecular formula C24H34O4Ru and a molecular weight of 487.60 g/mol. Its IUPAC name is (5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-propan-2-ylpentanoate;ruthenium(2+).

Molecular Properties

Compound Name(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-propan-2-ylpentanoate;ruthenium(2+)
PubChem CID163648316
Molecular FormulaC24H34O4Ru
Molecular Weight487.60 g/mol
Exact Mass488.15
IUPAC Name(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-propan-2-ylpentanoate;ruthenium(2+)
SMILESC[CH-]C[C-](C(=O)OC1C(C)C2CC1C1C2C2CC1C1(COC(=O)C1)C2)C(C)C.[Ru+2]
InChIInChI=1S/C24H34O4.Ru/c1-5-6-15(12(2)3)23(26)28-22-13(4)16-8-17(22)21-18-7-14(20(16)21)9-24(18)10-19(25)27-11-24;/h5,12-14,16-18,20-22H,6-11H2,1-4H3;/q-2;+2
InChIKeyROFYWZBZQSVDCH-UHFFFAOYSA-N
XLogP4.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Related Compounds

methane;(3-methyl-2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-methylbutanoate
CID 158022832
9'-ethylspiro[oxolane-4,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2-one
CID 138520001
(3-ethyl-5'-methyl-4-methylidenespiro[cyclopentane-1,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) acetate
CID 143331417
methane;(3-methyl-2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(10-oxo-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 2,2-dimethylbutanoate;(12-oxo-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 2,2-dimethylbutanoate;(12-oxo-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 2-methylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-methylbutanoate
CID 157480572
(6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
CID 59229021
(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) prop-2-enoate
CID 22709217
(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate
CID 157067890
4,9,10-trimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid
CID 20661446
5,6-dimethylspiro[bicyclo[2.2.1]heptane-2,5'-dioxane]-3'-one
CID 89006311
(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) prop-2-enoate
CID 147617954
CID 149172833
CID 149172833
(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,4'-oxolane]-2-yl) 2,2-dimethylbutanoate
CID 158840442

Frequently Asked Questions

What is the IUPAC name of (5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-propan-2-ylpentanoate;ruthenium(2+)?
The IUPAC name of (5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-propan-2-ylpentanoate;ruthenium(2+) (CID 163648316) is (5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-propan-2-ylpentanoate;ruthenium(2+).
What is the SMILES notation for (5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-propan-2-ylpentanoate;ruthenium(2+)?
The canonical SMILES for (5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-propan-2-ylpentanoate;ruthenium(2+) is C[CH-]C[C-](C(=O)OC1C(C)C2CC1C1C2C2CC1C1(COC(=O)C1)C2)C(C)C.[Ru+2].
What is the InChIKey of (5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-propan-2-ylpentanoate;ruthenium(2+)?
The InChIKey is ROFYWZBZQSVDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4.Ru/c1-5-6-15(12(2)3)23(26)28-22-13(4)16-8-17(22)21-18-7-14(20(16)21)9-24(18)10-19(25)27-11-24;/h5,12-14,16-18,20-22H,6-11H2,1-4H3;/q-2;+2.
What are the key properties of (5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-propan-2-ylpentanoate;ruthenium(2+)?
(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-propan-2-ylpentanoate;ruthenium(2+) has a molecular weight of 487.60 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-propan-2-ylpentanoate;ruthenium(2+) is sourced from PubChem (CID 163648316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).