[(4aS,10aR)-5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]oxy-trimethylsilane

C24H38O3Si — CID 10453756

IUPAC[(4aS,10aR)-5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]oxy-trimethylsilane
SMILESCOc1cc(C(C)C)c(OC)c2c1[C@@]1(C)CCC(O[Si](C)(C)C)=C(C)[C@@H]1CC2
InChIInChI=1S/C24H38O3Si/c1-15(2)18-14-21(25-5)22-17(23(18)26-6)10-11-19-16(3)20(27-28(7,8)9)12-13-24(19,22)4/h14-15,19H,10-13H2,1-9H3/t19-,24-/m0/s1
InChIKeyFJPJWQKMHBQYCQ-CYFREDJKSA-N
MW402.65 g/mol
LogP6.57
Rot. Bonds5

About [(4aS,10aR)-5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]oxy-trimethylsilane

[(4aS,10aR)-5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]oxy-trimethylsilane (PubChem CID 10453756) has the molecular formula C24H38O3Si and a molecular weight of 402.65 g/mol. Its IUPAC name is [(4aS,10aR)-5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(4aS,10aR)-5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]oxy-trimethylsilane
PubChem CID10453756
Molecular FormulaC24H38O3Si
Molecular Weight402.65 g/mol
Exact Mass402.26
IUPAC Name[(4aS,10aR)-5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]oxy-trimethylsilane
SMILESCOc1cc(C(C)C)c(OC)c2c1[C@@]1(C)CCC(O[Si](C)(C)C)=C(C)[C@@H]1CC2
InChIInChI=1S/C24H38O3Si/c1-15(2)18-14-21(25-5)22-17(23(18)26-6)10-11-19-16(3)20(27-28(7,8)9)12-13-24(19,22)4/h14-15,19H,10-13H2,1-9H3/t19-,24-/m0/s1
InChIKeyFJPJWQKMHBQYCQ-CYFREDJKSA-N
XLogP6.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.65
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol
CID 19029827
(3bR,9bS)-6-methoxy-9b-methyl-9-phenylmethoxy-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one
CID 102027908
(4aS,10aS)-5-hydroxy-7-[(2S)-1-hydroxypropan-2-yl]-8-methoxy-1,4a-dimethyl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid
CID 162929317
(1R)-5,8-dimethoxy-1-methyl-1-(3-oxopentyl)-6-propan-2-yl-3,4-dihydronaphthalen-2-one
CID 10337696
(4aS,10aS)-8-methoxy-4a-methyl-1-methylidene-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
CID 52912943
(4aS,10aS)-8-hydroxy-6-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid
CID 127046339
(2S,4aS)-8-methoxy-1,4a-dimethyl-7-propan-2-yl-3,4,9,10-tetrahydro-2H-phenanthren-2-ol
CID 11781571
5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene
CID 11746525
(4b,8,8-trimethyl-3-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)oxy-trimethylsilane
CID 91743369
(3bR,9bR)-8-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one
CID 163006746
(1R,4aS,10aR)-8-methoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde
CID 24764342
[(2S,4aS)-8-methoxy-1,4a-dimethyl-7-propan-2-yl-3,4,9,10-tetrahydro-2H-phenanthren-2-yl]oxy-(bromomethyl)-dimethylsilane
CID 10928486

Frequently Asked Questions

What is the IUPAC name of [(4aS,10aR)-5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]oxy-trimethylsilane?
The IUPAC name of [(4aS,10aR)-5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]oxy-trimethylsilane (CID 10453756) is [(4aS,10aR)-5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(4aS,10aR)-5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(4aS,10aR)-5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]oxy-trimethylsilane is COc1cc(C(C)C)c(OC)c2c1[C@@]1(C)CCC(O[Si](C)(C)C)=C(C)[C@@H]1CC2.
What is the InChIKey of [(4aS,10aR)-5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]oxy-trimethylsilane?
The InChIKey is FJPJWQKMHBQYCQ-CYFREDJKSA-N. The full InChI is InChI=1S/C24H38O3Si/c1-15(2)18-14-21(25-5)22-17(23(18)26-6)10-11-19-16(3)20(27-28(7,8)9)12-13-24(19,22)4/h14-15,19H,10-13H2,1-9H3/t19-,24-/m0/s1.
What are the key properties of [(4aS,10aR)-5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]oxy-trimethylsilane?
[(4aS,10aR)-5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]oxy-trimethylsilane has a molecular weight of 402.65 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,10aR)-5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 10453756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).