(Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol

C17H32O2Si — CID 164671236

IUPAC(Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol
SMILESC/C=C\[C@H](O)[C@H]1CCCC=C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-7-10-16(18)15-12-9-8-11-14(15)13-19-20(5,6)17(2,3)4/h7,10-11,15-16,18H,8-9,12-13H2,1-6H3/b10-7-/t15-,16-/m0/s1
InChIKeyRJXKPBNAPAICQG-WDSKNZHCSA-N
MW296.53 g/mol
LogP4.67
Rot. Bonds5

About (Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol

(Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol (PubChem CID 164671236) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol.

Molecular Properties

Compound Name(Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol
PubChem CID164671236
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol
SMILESC/C=C\[C@H](O)[C@H]1CCCC=C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-7-10-16(18)15-12-9-8-11-14(15)13-19-20(5,6)17(2,3)4/h7,10-11,15-16,18H,8-9,12-13H2,1-6H3/b10-7-/t15-,16-/m0/s1
InChIKeyRJXKPBNAPAICQG-WDSKNZHCSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.67
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

(1S,2E,6E,10E,14S)-14-(3-hydroxyprop-1-en-2-yl)-3,7,11-trimethylcyclotetradeca-2,6,10-trien-1-ol
CID 45481547
(1S,2E,4R,7S,10E,13S)-2,10-dimethyl-6-methylidene-13-prop-1-en-2-ylcyclotetradeca-2,10-diene-1,4,7-triol
CID 21574997
(1S,2Z,4R,7S,10Z,13S)-2,10-dimethyl-6-methylidene-13-prop-1-en-2-ylcyclotetradeca-2,10-diene-1,4,7-triol
CID 101340302
(1R,2E,4R,7S,10E,13S)-2,10-dimethyl-6-methylidene-13-prop-1-en-2-ylcyclotetradeca-2,10-diene-1,4,7-triol
CID 163013896
2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol
CID 11292059
(1S,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 12034957
(1E,3R,4S,5E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-1-iodo-2,6-dimethyldeca-1,5,9-trien-3-ol
CID 134953226
2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 10880626
3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol
CID 11122130
(2R,5Z,9R,13R)-9,13-bis(triethylsilyloxy)bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyn-2-ol
CID 11144749
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(1S,2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 11301047

Frequently Asked Questions

What is the IUPAC name of (Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol?
The IUPAC name of (Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol (CID 164671236) is (Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol.
What is the SMILES notation for (Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol?
The canonical SMILES for (Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol is C/C=C\[C@H](O)[C@H]1CCCC=C1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol?
The InChIKey is RJXKPBNAPAICQG-WDSKNZHCSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-7-10-16(18)15-12-9-8-11-14(15)13-19-20(5,6)17(2,3)4/h7,10-11,15-16,18H,8-9,12-13H2,1-6H3/b10-7-/t15-,16-/m0/s1.
What are the key properties of (Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol?
(Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol has a molecular weight of 296.53 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol is sourced from PubChem (CID 164671236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).