(1R,1aR,6R,6aS)-6-(2-methylphenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol

C20H24OSi — CID 134998218

IUPAC(1R,1aR,6R,6aS)-6-(2-methylphenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol
SMILESCc1ccccc1[C@@]1(O)c2ccccc2[C@H]2[C@@H]1[C@@H]2[Si](C)(C)C
InChIInChI=1S/C20H24OSi/c1-13-9-5-7-11-15(13)20(21)16-12-8-6-10-14(16)17-18(20)19(17)22(2,3)4/h5-12,17-19,21H,1-4H3/t17-,18+,19+,20+/m0/s1
InChIKeyBYEGMGGPGGBSRZ-MTQWCTHYSA-N
MW308.50 g/mol
LogP4.67
Rot. Bonds2

About (1R,1aR,6R,6aS)-6-(2-methylphenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol

(1R,1aR,6R,6aS)-6-(2-methylphenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol (PubChem CID 134998218) has the molecular formula C20H24OSi and a molecular weight of 308.50 g/mol. Its IUPAC name is (1R,1aR,6R,6aS)-6-(2-methylphenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol.

Molecular Properties

Compound Name(1R,1aR,6R,6aS)-6-(2-methylphenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol
PubChem CID134998218
Molecular FormulaC20H24OSi
Molecular Weight308.50 g/mol
Exact Mass308.16
IUPAC Name(1R,1aR,6R,6aS)-6-(2-methylphenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol
SMILESCc1ccccc1[C@@]1(O)c2ccccc2[C@H]2[C@@H]1[C@@H]2[Si](C)(C)C
InChIInChI=1S/C20H24OSi/c1-13-9-5-7-11-15(13)20(21)16-12-8-6-10-14(16)17-18(20)19(17)22(2,3)4/h5-12,17-19,21H,1-4H3/t17-,18+,19+,20+/m0/s1
InChIKeyBYEGMGGPGGBSRZ-MTQWCTHYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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hydron;2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;chloride
CID 660869
(15S,18R)-16-oxapentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaen-1-ol
CID 101171617
3,3-dimethyl-1-(2-methylphenyl)-2-benzofuran-1-ol
CID 15562711
9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol
CID 10878971
(1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol
CID 170673933
(3aR,4S,9S,9aR)-4-hydroxy-9-methoxy-4-phenyl-1,3a,9,9a-tetrahydrobenzo[f][2]benzofuran-3-one
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2-(2-methylphenyl)adamantan-2-ol
CID 14198294
9-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenylmethanamine
CID 90482134
2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol
CID 134887514
pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol
CID 90482140
(1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol
CID 98554614

Frequently Asked Questions

What is the IUPAC name of (1R,1aR,6R,6aS)-6-(2-methylphenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol?
The IUPAC name of (1R,1aR,6R,6aS)-6-(2-methylphenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol (CID 134998218) is (1R,1aR,6R,6aS)-6-(2-methylphenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol.
What is the SMILES notation for (1R,1aR,6R,6aS)-6-(2-methylphenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol?
The canonical SMILES for (1R,1aR,6R,6aS)-6-(2-methylphenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol is Cc1ccccc1[C@@]1(O)c2ccccc2[C@H]2[C@@H]1[C@@H]2[Si](C)(C)C.
What is the InChIKey of (1R,1aR,6R,6aS)-6-(2-methylphenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol?
The InChIKey is BYEGMGGPGGBSRZ-MTQWCTHYSA-N. The full InChI is InChI=1S/C20H24OSi/c1-13-9-5-7-11-15(13)20(21)16-12-8-6-10-14(16)17-18(20)19(17)22(2,3)4/h5-12,17-19,21H,1-4H3/t17-,18+,19+,20+/m0/s1.
What are the key properties of (1R,1aR,6R,6aS)-6-(2-methylphenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol?
(1R,1aR,6R,6aS)-6-(2-methylphenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol has a molecular weight of 308.50 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,1aR,6R,6aS)-6-(2-methylphenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol is sourced from PubChem (CID 134998218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).