(4aS,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol

C18H34O2Si — CID 162502707

IUPAC(4aS,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol
SMILESC[C@@H]1CC(O[Si](C)(C)C(C)(C)C)C=C2CC(O)CC[C@]21C
InChIInChI=1S/C18H34O2Si/c1-13-10-16(20-21(6,7)17(2,3)4)12-14-11-15(19)8-9-18(13,14)5/h12-13,15-16,19H,8-11H2,1-7H3/t13-,15?,16?,18+/m1/s1
InChIKeyYDBQDNDXQZIJBK-VTCYXGNWSA-N
MW310.55 g/mol
LogP4.89
Rot. Bonds2

About (4aS,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol

(4aS,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol (PubChem CID 162502707) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (4aS,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name(4aS,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol
PubChem CID162502707
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(4aS,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol
SMILESC[C@@H]1CC(O[Si](C)(C)C(C)(C)C)C=C2CC(O)CC[C@]21C
InChIInChI=1S/C18H34O2Si/c1-13-10-16(20-21(6,7)17(2,3)4)12-14-11-15(19)8-9-18(13,14)5/h12-13,15-16,19H,8-11H2,1-7H3/t13-,15?,16?,18+/m1/s1
InChIKeyYDBQDNDXQZIJBK-VTCYXGNWSA-N
XLogP4.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.89
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 (4aS,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-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

(E,5R)-5-[(1S,2R,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-ene-1,5-diol
CID 73349247
(2S,4aS,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 11426466
[(4aR,5S,6R,8aR)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,8a-dimethyl-6-triethylsilyloxy-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol
CID 11409360
(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol
CID 10595092
3-[(1R,4aR,5S,6S)-1,5,6-trimethyl-5-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]propan-1-ol
CID 10717812
4-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-ol
CID 134835026
(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,8-hexahydronaphthalen-2-ol
CID 134865796
(1S,2S,3S,5S,8S,10S,14S)-10-[tert-butyl(dimethyl)silyl]oxy-1,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,5,14-triol
CID 134871412
(1S,2S,3S,5S,8S,10S,14S)-10-[diethyl(propan-2-yl)silyl]oxy-1,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,5,14-triol
CID 134892174
(1S,3S,5S,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-1,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol
CID 134917073
(1S,3S,5S,8S,10S)-10-[diethyl(propan-2-yl)silyl]oxy-1,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol
CID 134917075
(3S,8R,9S,10R,13S,15R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-15-ol
CID 139263509

Frequently Asked Questions

What is the IUPAC name of (4aS,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol?
The IUPAC name of (4aS,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol (CID 162502707) is (4aS,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol.
What is the SMILES notation for (4aS,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol?
The canonical SMILES for (4aS,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol is C[C@@H]1CC(O[Si](C)(C)C(C)(C)C)C=C2CC(O)CC[C@]21C.
What is the InChIKey of (4aS,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol?
The InChIKey is YDBQDNDXQZIJBK-VTCYXGNWSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-13-10-16(20-21(6,7)17(2,3)4)12-14-11-15(19)8-9-18(13,14)5/h12-13,15-16,19H,8-11H2,1-7H3/t13-,15?,16?,18+/m1/s1.
What are the key properties of (4aS,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol?
(4aS,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol has a molecular weight of 310.55 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,5R)-7-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 162502707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).