(2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-1-ol

C18H32OSi — CID 11243319

IUPAC(2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-1-ol
SMILESCC1=CC[C@H]([Si](C)(C)C)[C@]2(C)CC[C@@H]([C@H](C)CO)C=C12
InChIInChI=1S/C18H32OSi/c1-13-7-8-17(20(4,5)6)18(3)10-9-15(11-16(13)18)14(2)12-19/h7,11,14-15,17,19H,8-10,12H2,1-6H3/t14-,15-,17+,18-/m1/s1
InChIKeyRMVPLSVZVFTCPS-XYVMCAHJSA-N
MW292.54 g/mol
LogP5.02
Rot. Bonds3

About (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-1-ol

(2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-1-ol (PubChem CID 11243319) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-1-ol
PubChem CID11243319
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name(2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-1-ol
SMILESCC1=CC[C@H]([Si](C)(C)C)[C@]2(C)CC[C@@H]([C@H](C)CO)C=C12
InChIInChI=1S/C18H32OSi/c1-13-7-8-17(20(4,5)6)18(3)10-9-15(11-16(13)18)14(2)12-19/h7,11,14-15,17,19H,8-10,12H2,1-6H3/t14-,15-,17+,18-/m1/s1
InChIKeyRMVPLSVZVFTCPS-XYVMCAHJSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.02
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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Palustradienol
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3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol
CID 52948707
[(1R,4aS,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthren-1-yl]methanol
CID 94840639
(3S)-5-[(1S,2R,8aR)-1,2,5-trimethyl-3,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentan-1-ol
CID 163185843
Abieta-8,13-dien-18-ol
CID 89499
[(1S,4aR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthren-1-yl]methanol
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(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-8-en-1-ol
CID 86306044
[(1R)-1,3-dimethyl-2-[(1E,3E,5E,7E,9E,11E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11-hexaenyl]cyclohex-2-en-1-yl]methanol
CID 137331574
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
3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol
CID 134980037
2-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]ethanol
CID 134980823

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-1-ol?
The IUPAC name of (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-1-ol (CID 11243319) is (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-1-ol is CC1=CC[C@H]([Si](C)(C)C)[C@]2(C)CC[C@@H]([C@H](C)CO)C=C12.
What is the InChIKey of (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-1-ol?
The InChIKey is RMVPLSVZVFTCPS-XYVMCAHJSA-N. The full InChI is InChI=1S/C18H32OSi/c1-13-7-8-17(20(4,5)6)18(3)10-9-15(11-16(13)18)14(2)12-19/h7,11,14-15,17,19H,8-10,12H2,1-6H3/t14-,15-,17+,18-/m1/s1.
What are the key properties of (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-1-ol?
(2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-1-ol has a molecular weight of 292.54 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,4aR,5S)-4a,8-dimethyl-5-trimethylsilyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 11243319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).