(4aS,6R,8aS)-2-methoxy-1-[methoxy(trimethylsilyl)methyl]-5,5,8a-trimethyl-6-phenylmethoxy-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol

C26H42O4Si — CID 11070335

IUPAC(4aS,6R,8aS)-2-methoxy-1-[methoxy(trimethylsilyl)methyl]-5,5,8a-trimethyl-6-phenylmethoxy-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol
SMILESCOC1=CC[C@H]2C(C)(C)[C@H](OCc3ccccc3)CC[C@]2(C)C1(O)C(OC)[Si](C)(C)C
InChIInChI=1S/C26H42O4Si/c1-24(2)20-14-15-22(28-4)26(27,23(29-5)31(6,7)8)25(20,3)17-16-21(24)30-18-19-12-10-9-11-13-19/h9-13,15,20-21,23,27H,14,16-18H2,1-8H3/t20-,21+,23?,25-,26?/m0/s1
InChIKeySAJPOMPUPRCRGR-WJXYSSOWSA-N
MW446.70 g/mol
LogP5.57
Rot. Bonds7

About (4aS,6R,8aS)-2-methoxy-1-[methoxy(trimethylsilyl)methyl]-5,5,8a-trimethyl-6-phenylmethoxy-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol

(4aS,6R,8aS)-2-methoxy-1-[methoxy(trimethylsilyl)methyl]-5,5,8a-trimethyl-6-phenylmethoxy-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol (PubChem CID 11070335) has the molecular formula C26H42O4Si and a molecular weight of 446.70 g/mol. Its IUPAC name is (4aS,6R,8aS)-2-methoxy-1-[methoxy(trimethylsilyl)methyl]-5,5,8a-trimethyl-6-phenylmethoxy-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol.

Molecular Properties

Compound Name(4aS,6R,8aS)-2-methoxy-1-[methoxy(trimethylsilyl)methyl]-5,5,8a-trimethyl-6-phenylmethoxy-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol
PubChem CID11070335
Molecular FormulaC26H42O4Si
Molecular Weight446.70 g/mol
Exact Mass446.29
IUPAC Name(4aS,6R,8aS)-2-methoxy-1-[methoxy(trimethylsilyl)methyl]-5,5,8a-trimethyl-6-phenylmethoxy-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol
SMILESCOC1=CC[C@H]2C(C)(C)[C@H](OCc3ccccc3)CC[C@]2(C)C1(O)C(OC)[Si](C)(C)C
InChIInChI=1S/C26H42O4Si/c1-24(2)20-14-15-22(28-4)26(27,23(29-5)31(6,7)8)25(20,3)17-16-21(24)30-18-19-12-10-9-11-13-19/h9-13,15,20-21,23,27H,14,16-18H2,1-8H3/t20-,21+,23?,25-,26?/m0/s1
InChIKeySAJPOMPUPRCRGR-WJXYSSOWSA-N
XLogP5.57
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.70
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4aS,6R,8aS)-2-methoxy-1-[methoxy(trimethylsilyl)methyl]-5,5,8a-trimethyl-6-phenylmethoxy-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol 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

cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 167259654
1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 154122310
(3R,4S)-3,7,7-trimethyl-4-phenylmethoxyoxepan-3-ol
CID 11311604
(1S,4R,5R)-7,7-dimethoxy-1,5-dimethyl-4-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-one
CID 10543686
(3S,4S,6aR,6bS,8aR,9R,12aR,14aR,14bR)-4,6a,6b,8a,11,11,14b-heptamethyl-3,9-bis(phenylmethoxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-ol
CID 21136263
(4R)-3,3-dimethyl-4-phenylmethoxyoxolane
CID 68901005
methyl (1S,4aR,4bR,7S,8aR,10aR)-4b,8,8,10a-tetramethyl-2-oxo-7-phenylmethoxy-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylate
CID 10916914
[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene
CID 101022105
(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
CID 121352123
(3S,4S,6aR,6bS,8aR,12aS,14aR,14bR)-4,6a,6b,8a,11,11,14b-heptamethyl-3-phenylmethoxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
CID 21136287
(1R,2S,5S)-5-methoxy-1-methyl-2-phenylmethoxy-9-oxabicyclo[3.3.1]nonane
CID 67906969
(1S,2S,5R,7R,10R,13S,14S)-13-[(2R)-4-(3,3-dimethyloxiran-2-yl)butan-2-yl]-14-hydroxy-2,6,6,10,13-pentamethyl-5-phenylmethoxytricyclo[8.6.1.02,7]heptadecane-15,17-dione
CID 138966411

Frequently Asked Questions

What is the IUPAC name of (4aS,6R,8aS)-2-methoxy-1-[methoxy(trimethylsilyl)methyl]-5,5,8a-trimethyl-6-phenylmethoxy-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol?
The IUPAC name of (4aS,6R,8aS)-2-methoxy-1-[methoxy(trimethylsilyl)methyl]-5,5,8a-trimethyl-6-phenylmethoxy-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol (CID 11070335) is (4aS,6R,8aS)-2-methoxy-1-[methoxy(trimethylsilyl)methyl]-5,5,8a-trimethyl-6-phenylmethoxy-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol.
What is the SMILES notation for (4aS,6R,8aS)-2-methoxy-1-[methoxy(trimethylsilyl)methyl]-5,5,8a-trimethyl-6-phenylmethoxy-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol?
The canonical SMILES for (4aS,6R,8aS)-2-methoxy-1-[methoxy(trimethylsilyl)methyl]-5,5,8a-trimethyl-6-phenylmethoxy-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol is COC1=CC[C@H]2C(C)(C)[C@H](OCc3ccccc3)CC[C@]2(C)C1(O)C(OC)[Si](C)(C)C.
What is the InChIKey of (4aS,6R,8aS)-2-methoxy-1-[methoxy(trimethylsilyl)methyl]-5,5,8a-trimethyl-6-phenylmethoxy-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol?
The InChIKey is SAJPOMPUPRCRGR-WJXYSSOWSA-N. The full InChI is InChI=1S/C26H42O4Si/c1-24(2)20-14-15-22(28-4)26(27,23(29-5)31(6,7)8)25(20,3)17-16-21(24)30-18-19-12-10-9-11-13-19/h9-13,15,20-21,23,27H,14,16-18H2,1-8H3/t20-,21+,23?,25-,26?/m0/s1.
What are the key properties of (4aS,6R,8aS)-2-methoxy-1-[methoxy(trimethylsilyl)methyl]-5,5,8a-trimethyl-6-phenylmethoxy-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol?
(4aS,6R,8aS)-2-methoxy-1-[methoxy(trimethylsilyl)methyl]-5,5,8a-trimethyl-6-phenylmethoxy-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol has a molecular weight of 446.70 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6R,8aS)-2-methoxy-1-[methoxy(trimethylsilyl)methyl]-5,5,8a-trimethyl-6-phenylmethoxy-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol is sourced from PubChem (CID 11070335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).