(1S,2R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(hydroxymethyl)-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol

C20H34O3Si — CID 11695996

IUPAC(1S,2R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(hydroxymethyl)-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol
SMILESCC1=CC[C@]2(O)[C@]3(C)C=C[C@]3(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@]12CO
InChIInChI=1S/C20H34O3Si/c1-14-9-10-20(22)18(6)12-11-17(18,5)15(19(14,20)13-21)23-24(7,8)16(2,3)4/h9,11-12,15,21-22H,10,13H2,1-8H3/t15-,17+,18+,19-,20-/m0/s1
InChIKeyZWQGLPUZDLVGCB-VRCPBSEVSA-N
MW350.58 g/mol
LogP4.03
Rot. Bonds3

About (1S,2R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(hydroxymethyl)-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol

(1S,2R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(hydroxymethyl)-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol (PubChem CID 11695996) has the molecular formula C20H34O3Si and a molecular weight of 350.58 g/mol. Its IUPAC name is (1S,2R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(hydroxymethyl)-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol.

Molecular Properties

Compound Name(1S,2R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(hydroxymethyl)-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol
PubChem CID11695996
Molecular FormulaC20H34O3Si
Molecular Weight350.58 g/mol
Exact Mass350.23
IUPAC Name(1S,2R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(hydroxymethyl)-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol
SMILESCC1=CC[C@]2(O)[C@]3(C)C=C[C@]3(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@]12CO
InChIInChI=1S/C20H34O3Si/c1-14-9-10-20(22)18(6)12-11-17(18,5)15(19(14,20)13-21)23-24(7,8)16(2,3)4/h9,11-12,15,21-22H,10,13H2,1-8H3/t15-,17+,18+,19-,20-/m0/s1
InChIKeyZWQGLPUZDLVGCB-VRCPBSEVSA-N
XLogP4.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,3R,3aS,6R,7S,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-7-ethenyl-2-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol
CID 101362169
(1S,3R,4R,6S,7S,8E,11R,12S)-4-[tert-butyl(dimethyl)silyl]oxy-8-(hydroxymethyl)-1,4-dimethyl-12-[(2R)-6-methylhept-5-en-2-yl]tricyclo[9.3.0.03,7]tetradec-8-en-6-ol
CID 134959576
(2R)-2-[(1R,3aR,8aR)-3a-(hydroxymethyl)-6-methyl-8a-trimethylsilyloxy-1,2,3,4,7,8-hexahydroazulen-1-yl]propan-1-ol
CID 139037266
(2S,4R)-4-[(1S,3S,4S)-4-(cyclohexen-1-yl)-2,2-dimethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
CID 139253920
(2S,4R)-4-[(1S,3S,4S)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
CID 139253921
(2S,4R)-4-[(1S,3R,4R)-4-(cyclohexen-1-yl)-2,2-dimethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
CID 139253926
(2S,4R)-4-[(1S,3R,4R)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
CID 139253927
(1S,2R,3S,5S,6S,7R)-3-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol
CID 10949599
4,10,11,11-Tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol
CID 70986543
(1S,2R,3S,4R)-2-[(E)-4-[(1R,2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-hydroxycyclopentyl]but-2-enyl]-3-ethenyl-4-methylcyclopentan-1-ol
CID 173646387
(2R,4R,5S,7S)-4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol
CID 10871828
(1S,2R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(E)-2-methoxyethenyl]-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol
CID 11574373

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(hydroxymethyl)-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol?
The IUPAC name of (1S,2R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(hydroxymethyl)-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol (CID 11695996) is (1S,2R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(hydroxymethyl)-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol.
What is the SMILES notation for (1S,2R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(hydroxymethyl)-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol?
The canonical SMILES for (1S,2R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(hydroxymethyl)-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol is CC1=CC[C@]2(O)[C@]3(C)C=C[C@]3(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@]12CO.
What is the InChIKey of (1S,2R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(hydroxymethyl)-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol?
The InChIKey is ZWQGLPUZDLVGCB-VRCPBSEVSA-N. The full InChI is InChI=1S/C20H34O3Si/c1-14-9-10-20(22)18(6)12-11-17(18,5)15(19(14,20)13-21)23-24(7,8)16(2,3)4/h9,11-12,15,21-22H,10,13H2,1-8H3/t15-,17+,18+,19-,20-/m0/s1.
What are the key properties of (1S,2R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(hydroxymethyl)-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol?
(1S,2R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(hydroxymethyl)-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol has a molecular weight of 350.58 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(hydroxymethyl)-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol is sourced from PubChem (CID 11695996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).