[(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol

C25H46O2Si — CID 11338727

IUPAC[(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol
SMILESCC(C)=CCC[C@]1(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(C)C=C(CO)CC[C@@H]12
InChIInChI=1S/C25H46O2Si/c1-19(2)11-10-15-25(7)21-13-12-20(18-26)17-24(21,6)16-14-22(25)27-28(8,9)23(3,4)5/h11,17,21-22,26H,10,12-16,18H2,1-9H3/t21-,22+,24-,25+/m1/s1
InChIKeyUULUCAQPOHHRGH-OUMDNPPYSA-N
MW406.73 g/mol
LogP7.26
Rot. Bonds6

About [(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol

[(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol (PubChem CID 11338727) has the molecular formula C25H46O2Si and a molecular weight of 406.73 g/mol. Its IUPAC name is [(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol.

Molecular Properties

Compound Name[(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol
PubChem CID11338727
Molecular FormulaC25H46O2Si
Molecular Weight406.73 g/mol
Exact Mass406.33
IUPAC Name[(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol
SMILESCC(C)=CCC[C@]1(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(C)C=C(CO)CC[C@@H]12
InChIInChI=1S/C25H46O2Si/c1-19(2)11-10-15-25(7)21-13-12-20(18-26)17-24(21,6)16-14-22(25)27-28(8,9)23(3,4)5/h11,17,21-22,26H,10,12-16,18H2,1-9H3/t21-,22+,24-,25+/m1/s1
InChIKeyUULUCAQPOHHRGH-OUMDNPPYSA-N
XLogP7.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.73
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol 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

Labd-13-ene-8,15-diol
CID 5471228
Physordin
CID 46873722
(3beta,9beta)-7-Drimene-3,11,12-triol
CID 14433069
Taxa-4(20),11(12)-dien-5alpha,13alpha-diol
CID 443487
Physacoztomatin
CID 49799161
Myrrhanol A
CID 42608309
1,1,4a-Trimethyl-5-(4,8,12-trimethyl-trideca-3,7,11-trienyl)-1,2,3,4,4a,7,8,8a-octahydro-naphthalen-2-ol
CID 44314201
(2R,4aS,8aS)-1-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 46229740
(1R,2S,4aS,8aS)-1-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 1747800
(1S,2S,8aR)-1-[(Z)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 23872105
(E,4S)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-ene-1,4-diol
CID 14240398
(1S,3R,4S,4aR,8aR)-4-[(3S)-3-hydroxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-ol
CID 15747920

Frequently Asked Questions

What is the IUPAC name of [(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol?
The IUPAC name of [(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol (CID 11338727) is [(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol.
What is the SMILES notation for [(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol?
The canonical SMILES for [(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol is CC(C)=CCC[C@]1(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(C)C=C(CO)CC[C@@H]12.
What is the InChIKey of [(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol?
The InChIKey is UULUCAQPOHHRGH-OUMDNPPYSA-N. The full InChI is InChI=1S/C25H46O2Si/c1-19(2)11-10-15-25(7)21-13-12-20(18-26)17-24(21,6)16-14-22(25)27-28(8,9)23(3,4)5/h11,17,21-22,26H,10,12-16,18H2,1-9H3/t21-,22+,24-,25+/m1/s1.
What are the key properties of [(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol?
[(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol has a molecular weight of 406.73 g/mol, XLogP of 7.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol is sourced from PubChem (CID 11338727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).