(1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol

C23H38O2Si — CID 10643161

IUPAC(1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol
SMILESC=C(C[C@H](O)c1ccccc1)[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C23H38O2Si/c1-18(17-21(24)19-13-9-7-10-14-19)22(20-15-11-8-12-16-20)25-26(5,6)23(2,3)4/h7,9-10,13-14,20-22,24H,1,8,11-12,15-17H2,2-6H3/t21-,22-/m0/s1
InChIKeyVOQKDRLFBZLAIP-VXKWHMMOSA-N
MW374.64 g/mol
LogP6.64
Rot. Bonds7

About (1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol

(1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol (PubChem CID 10643161) has the molecular formula C23H38O2Si and a molecular weight of 374.64 g/mol. Its IUPAC name is (1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol
PubChem CID10643161
Molecular FormulaC23H38O2Si
Molecular Weight374.64 g/mol
Exact Mass374.26
IUPAC Name(1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol
SMILESC=C(C[C@H](O)c1ccccc1)[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C23H38O2Si/c1-18(17-21(24)19-13-9-7-10-14-19)22(20-15-11-8-12-16-20)25-26(5,6)23(2,3)4/h7,9-10,13-14,20-22,24H,1,8,11-12,15-17H2,2-6H3/t21-,22-/m0/s1
InChIKeyVOQKDRLFBZLAIP-VXKWHMMOSA-N
XLogP6.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.64
LogP ≤ 56.64
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)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol
CID 10540298
2-[[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]prop-2-enyl benzoate
CID 11014594
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol
CID 10542729
(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3-methylidene-1-phenylhexan-1-ol
CID 10521719
(1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol
CID 134954711
tert-butyl-[2-[cyclohexylmethoxy(dimethyl)silyl]-2-methyl-1-phenylpropoxy]-dimethylsilane
CID 18922427
(1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol
CID 134966288
(1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol
CID 46915097
(R)-cycloheptyl(phenyl)methanol
CID 94502427
1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpropan-2-ol
CID 166437528
(1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol
CID 10683740
(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol
CID 66573505

Frequently Asked Questions

What is the IUPAC name of (1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol?
The IUPAC name of (1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol (CID 10643161) is (1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol?
The canonical SMILES for (1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol is C=C(C[C@H](O)c1ccccc1)[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of (1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol?
The InChIKey is VOQKDRLFBZLAIP-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H38O2Si/c1-18(17-21(24)19-13-9-7-10-14-19)22(20-15-11-8-12-16-20)25-26(5,6)23(2,3)4/h7,9-10,13-14,20-22,24H,1,8,11-12,15-17H2,2-6H3/t21-,22-/m0/s1.
What are the key properties of (1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol?
(1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol has a molecular weight of 374.64 g/mol, XLogP of 6.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 10643161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).