4a,5-dimethyl-6-methylidenesilyloxy-3,4,5,6,7,8-hexahydronaphthalen-2-one;ethyl formate

C16H26O4Si — CID 123722862

IUPAC4a,5-dimethyl-6-methylidenesilyloxy-3,4,5,6,7,8-hexahydronaphthalen-2-one;ethyl formate
SMILESC=[SiH]OC1CCC2=CC(=O)CCC2(C)C1C.CCOC=O
InChIInChI=1S/C13H20O2Si.C3H6O2/c1-9-12(15-16-3)5-4-10-8-11(14)6-7-13(9,10)2;1-2-5-3-4/h8-9,12,16H,3-7H2,1-2H3;3H,2H2,1H3
InChIKeyFZIDSUKPUVTQIC-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.06
Rot. Bonds4

About 4a,5-dimethyl-6-methylidenesilyloxy-3,4,5,6,7,8-hexahydronaphthalen-2-one;ethyl formate

4a,5-dimethyl-6-methylidenesilyloxy-3,4,5,6,7,8-hexahydronaphthalen-2-one;ethyl formate (PubChem CID 123722862) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is 4a,5-dimethyl-6-methylidenesilyloxy-3,4,5,6,7,8-hexahydronaphthalen-2-one;ethyl formate.

Molecular Properties

Compound Name4a,5-dimethyl-6-methylidenesilyloxy-3,4,5,6,7,8-hexahydronaphthalen-2-one;ethyl formate
PubChem CID123722862
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Name4a,5-dimethyl-6-methylidenesilyloxy-3,4,5,6,7,8-hexahydronaphthalen-2-one;ethyl formate
SMILESC=[SiH]OC1CCC2=CC(=O)CCC2(C)C1C.CCOC=O
InChIInChI=1S/C13H20O2Si.C3H6O2/c1-9-12(15-16-3)5-4-10-8-11(14)6-7-13(9,10)2;1-2-5-3-4/h8-9,12,16H,3-7H2,1-2H3;3H,2H2,1H3
InChIKeyFZIDSUKPUVTQIC-UHFFFAOYSA-N
XLogP2.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4a,5-dimethyl-6-methylidenesilyloxy-3,4,5,6,7,8-hexahydronaphthalen-2-one;ethyl formate with MolForge

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Related Compounds

(4aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 10902926
(4aR,5R)-4a,5-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 12704992
methyl 2-[(1S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl]acetate
CID 11127877
(1S)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 13033866
(1S,7aS)-7a-methyl-1-propan-2-yl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 101484250
(1R,7aR)-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-1-carbonitrile
CID 10419691
(7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl) acetate
CID 13033871
(8S,9S,10R,13S,14S,17R)-17-acetyl-17-ethoxy-11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 68846822
(7,10-dimethyl-3-oxo-2,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) formate;methane;methyl formate;propane
CID 143236831
7-ethyl-5-hydroxy-4a,7-dimethyl-8-propyl-4,4b,5,6,8,8a,9,10-octahydro-3H-phenanthren-2-one
CID 143829999
[(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] formate
CID 172970134
(10R)-10,17-dimethyl-2,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 135018372

Frequently Asked Questions

What is the IUPAC name of 4a,5-dimethyl-6-methylidenesilyloxy-3,4,5,6,7,8-hexahydronaphthalen-2-one;ethyl formate?
The IUPAC name of 4a,5-dimethyl-6-methylidenesilyloxy-3,4,5,6,7,8-hexahydronaphthalen-2-one;ethyl formate (CID 123722862) is 4a,5-dimethyl-6-methylidenesilyloxy-3,4,5,6,7,8-hexahydronaphthalen-2-one;ethyl formate.
What is the SMILES notation for 4a,5-dimethyl-6-methylidenesilyloxy-3,4,5,6,7,8-hexahydronaphthalen-2-one;ethyl formate?
The canonical SMILES for 4a,5-dimethyl-6-methylidenesilyloxy-3,4,5,6,7,8-hexahydronaphthalen-2-one;ethyl formate is C=[SiH]OC1CCC2=CC(=O)CCC2(C)C1C.CCOC=O.
What is the InChIKey of 4a,5-dimethyl-6-methylidenesilyloxy-3,4,5,6,7,8-hexahydronaphthalen-2-one;ethyl formate?
The InChIKey is FZIDSUKPUVTQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2Si.C3H6O2/c1-9-12(15-16-3)5-4-10-8-11(14)6-7-13(9,10)2;1-2-5-3-4/h8-9,12,16H,3-7H2,1-2H3;3H,2H2,1H3.
What are the key properties of 4a,5-dimethyl-6-methylidenesilyloxy-3,4,5,6,7,8-hexahydronaphthalen-2-one;ethyl formate?
4a,5-dimethyl-6-methylidenesilyloxy-3,4,5,6,7,8-hexahydronaphthalen-2-one;ethyl formate has a molecular weight of 310.47 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5-dimethyl-6-methylidenesilyloxy-3,4,5,6,7,8-hexahydronaphthalen-2-one;ethyl formate is sourced from PubChem (CID 123722862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).