(1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-5-ol

C18H34O2Si — CID 10957887

IUPAC(1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-5-ol
SMILESCC1(C)C2=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]2(C)CC[C@@H]1O
InChIInChI=1S/C18H34O2Si/c1-16(2,3)21(7,8)20-15-10-9-13-17(4,5)14(19)11-12-18(13,15)6/h9,14-15,19H,10-12H2,1-8H3/t14-,15-,18-/m0/s1
InChIKeyADHURAPYPVYZBW-MPGHIAIKSA-N
MW310.55 g/mol
LogP4.89
Rot. Bonds2

About (1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-5-ol

(1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-5-ol (PubChem CID 10957887) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-5-ol.

Molecular Properties

Compound Name(1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-5-ol
PubChem CID10957887
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-5-ol
SMILESCC1(C)C2=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]2(C)CC[C@@H]1O
InChIInChI=1S/C18H34O2Si/c1-16(2,3)21(7,8)20-15-10-9-13-17(4,5)14(19)11-12-18(13,15)6/h9,14-15,19H,10-12H2,1-8H3/t14-,15-,18-/m0/s1
InChIKeyADHURAPYPVYZBW-MPGHIAIKSA-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'}

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Related Compounds

(2S,4aS,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 11426466
[(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 10968424
(2R)-2-[(3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl]propan-1-ol
CID 10881893
3-[(1R,5S)-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol
CID 18636544
(1S,2R)-3-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-2-methyl-2-prop-2-enylcyclopent-3-en-1-ol
CID 18636581
3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol
CID 18636585
3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-1-methyl-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol
CID 18636586
3-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol
CID 18636627
3-[2-[3-[Tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol
CID 19835959
2-(7a-Methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl)propan-1-ol
CID 57241447
[1-[(4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl]cyclopropyl]methanol
CID 57988865
[1-[(4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl]cyclopropyl]methanol
CID 68572895

Frequently Asked Questions

What is the IUPAC name of (1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-5-ol?
The IUPAC name of (1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-5-ol (CID 10957887) is (1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-5-ol.
What is the SMILES notation for (1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-5-ol?
The canonical SMILES for (1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-5-ol is CC1(C)C2=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]2(C)CC[C@@H]1O.
What is the InChIKey of (1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-5-ol?
The InChIKey is ADHURAPYPVYZBW-MPGHIAIKSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-16(2,3)21(7,8)20-15-10-9-13-17(4,5)14(19)11-12-18(13,15)6/h9,14-15,19H,10-12H2,1-8H3/t14-,15-,18-/m0/s1.
What are the key properties of (1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-5-ol?
(1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-5-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 (1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-5-ol is sourced from PubChem (CID 10957887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).