[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-cyclobutylmethanol

C20H32O2Si — CID 67812161

IUPAC[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-cyclobutylmethanol
SMILESCC(C)(C)[Si](C)(C)OC1CCc2c1cccc2C(O)C1CCC1
InChIInChI=1S/C20H32O2Si/c1-20(2,3)23(4,5)22-18-13-12-15-16(18)10-7-11-17(15)19(21)14-8-6-9-14/h7,10-11,14,18-19,21H,6,8-9,12-13H2,1-5H3
InChIKeyHAKOCGPWXYGFIW-UHFFFAOYSA-N
MW332.56 g/mol
LogP5.53
Rot. Bonds4

About [1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-cyclobutylmethanol

[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-cyclobutylmethanol (PubChem CID 67812161) has the molecular formula C20H32O2Si and a molecular weight of 332.56 g/mol. Its IUPAC name is [1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-cyclobutylmethanol.

Molecular Properties

Compound Name[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-cyclobutylmethanol
PubChem CID67812161
Molecular FormulaC20H32O2Si
Molecular Weight332.56 g/mol
Exact Mass332.22
IUPAC Name[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-cyclobutylmethanol
SMILESCC(C)(C)[Si](C)(C)OC1CCc2c1cccc2C(O)C1CCC1
InChIInChI=1S/C20H32O2Si/c1-20(2,3)23(4,5)22-18-13-12-15-16(18)10-7-11-17(15)19(21)14-8-6-9-14/h7,10-11,14,18-19,21H,6,8-9,12-13H2,1-5H3
InChIKeyHAKOCGPWXYGFIW-UHFFFAOYSA-N
XLogP5.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.56
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-(2,3-dimethylbutan-2-yloxy)methanol
CID 175133450
1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol
CID 77360299
tert-butyl-[[4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 67814830
1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one
CID 123160452
tert-butyl-[[4-[2-(2,2-dimethylpropoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 123807630
tert-butyl-dimethyl-[(4-methylidene-2,3-dihydro-1H-naphthalen-1-yl)oxy]silane
CID 134980286
tert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane
CID 69220700
4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-ol
CID 67814377
N-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine
CID 150629221
[5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]methanol
CID 163390764
(1R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-ol
CID 124636580
tert-butyl-[[(1S)-4-[5-(4-fluoro-3-isocyanophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;tert-butyl-[[(1S)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 160685553

Frequently Asked Questions

What is the IUPAC name of [1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-cyclobutylmethanol?
The IUPAC name of [1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-cyclobutylmethanol (CID 67812161) is [1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-cyclobutylmethanol.
What is the SMILES notation for [1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-cyclobutylmethanol?
The canonical SMILES for [1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-cyclobutylmethanol is CC(C)(C)[Si](C)(C)OC1CCc2c1cccc2C(O)C1CCC1.
What is the InChIKey of [1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-cyclobutylmethanol?
The InChIKey is HAKOCGPWXYGFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2Si/c1-20(2,3)23(4,5)22-18-13-12-15-16(18)10-7-11-17(15)19(21)14-8-6-9-14/h7,10-11,14,18-19,21H,6,8-9,12-13H2,1-5H3.
What are the key properties of [1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-cyclobutylmethanol?
[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-cyclobutylmethanol has a molecular weight of 332.56 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-cyclobutylmethanol is sourced from PubChem (CID 67812161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).