(1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

C18H32O2Si — CID 10859820

IUPAC(1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C[C@]1(O)C(C)=CC[C@H](C(=C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O2Si/c1-10-18(19)14(4)11-12-15(13(2)3)16(18)20-21(8,9)17(5,6)7/h10-11,15-16,19H,1-2,12H2,3-9H3/t15-,16-,18+/m1/s1
InChIKeyXPRHQIHHCUVUEW-NUJGCVRESA-N
MW308.54 g/mol
LogP4.84
Rot. Bonds4

About (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

(1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol (PubChem CID 10859820) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
PubChem CID10859820
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name(1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C[C@]1(O)C(C)=CC[C@H](C(=C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O2Si/c1-10-18(19)14(4)11-12-15(13(2)3)16(18)20-21(8,9)17(5,6)7/h10-11,15-16,19H,1-2,12H2,3-9H3/t15-,16-,18+/m1/s1
InChIKeyXPRHQIHHCUVUEW-NUJGCVRESA-N
XLogP4.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.84
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

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CID 11196999
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
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(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol
CID 23726370
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
CID 24755010
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol
CID 53329570
(1R,6S)-2-methyl-1-prop-2-enyl-6-triethylsilylcyclohex-2-en-1-ol
CID 101398678
(E,2S,3S)-3,4,6-trimethyl-2-triethylsilyloxyhept-4-en-3-ol
CID 101800487
(E,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(cyclohexen-1-yl)-3-methylpent-1-en-3-ol
CID 101800490
(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol
CID 122371221
(1r,4Ar,6r,7r,8z,10s,11z,12as)-11-({[t-butyl-(dimethyl)silyl]oxy}methyl)-1,7-dimethyl-1,4,4a,5,6,7,10,12a-octahydrobenzo[10]annulene-6,7,10-triol
CID 129751485

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The IUPAC name of (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol (CID 10859820) is (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol is C=C[C@]1(O)C(C)=CC[C@H](C(=C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The InChIKey is XPRHQIHHCUVUEW-NUJGCVRESA-N. The full InChI is InChI=1S/C18H32O2Si/c1-10-18(19)14(4)11-12-15(13(2)3)16(18)20-21(8,9)17(5,6)7/h10-11,15-16,19H,1-2,12H2,3-9H3/t15-,16-,18+/m1/s1.
What are the key properties of (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
(1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol has a molecular weight of 308.54 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 10859820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).