(1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol

C18H34O2Si — CID 14979169

IUPAC(1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol
SMILESC=C[C@@H]([C@H](O)C1CCCCC1)[Si](C)(C)OC1CCCCC1
InChIInChI=1S/C18H34O2Si/c1-4-17(18(19)15-11-7-5-8-12-15)21(2,3)20-16-13-9-6-10-14-16/h4,15-19H,1,5-14H2,2-3H3/t17-,18+/m0/s1
InChIKeyWFDVKWWEBUIAIH-ZWKOTPCHSA-N
MW310.55 g/mol
LogP5.04
Rot. Bonds6

About (1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol

(1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol (PubChem CID 14979169) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol
PubChem CID14979169
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol
SMILESC=C[C@@H]([C@H](O)C1CCCCC1)[Si](C)(C)OC1CCCCC1
InChIInChI=1S/C18H34O2Si/c1-4-17(18(19)15-11-7-5-8-12-15)21(2,3)20-16-13-9-6-10-14-16/h4,15-19H,1,5-14H2,2-3H3/t17-,18+/m0/s1
InChIKeyWFDVKWWEBUIAIH-ZWKOTPCHSA-N
XLogP5.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.04
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'}

Analyze (1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol with MolForge

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Related Compounds

(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol
CID 11291668
(E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol
CID 12022452
(E)-1-cyclohexyl-3-triethylsilylprop-2-en-1-ol
CID 10060901
cis-(1R,2S)-2-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-ol
CID 10932774
(1R,2R,3R)-2-prop-2-enyl-3-trimethylsilylcyclohexan-1-ol
CID 10998343
cis-(1S,2R)-2-[(Z)-2-trimethylsilylethenyl]cyclohexan-1-ol
CID 12023488
(2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol
CID 14107959
trans-(1R,2R)-2-(1-trimethylsilylprop-2-enyl)cyclohexan-1-ol
CID 14203372
(3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol
CID 24767663
(E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol
CID 101097233
cis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol
CID 101490649
trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-ol
CID 101593845

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol?
The IUPAC name of (1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol (CID 14979169) is (1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol.
What is the SMILES notation for (1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol?
The canonical SMILES for (1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol is C=C[C@@H]([C@H](O)C1CCCCC1)[Si](C)(C)OC1CCCCC1.
What is the InChIKey of (1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol?
The InChIKey is WFDVKWWEBUIAIH-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-4-17(18(19)15-11-7-5-8-12-15)21(2,3)20-16-13-9-6-10-14-16/h4,15-19H,1,5-14H2,2-3H3/t17-,18+/m0/s1.
What are the key properties of (1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol?
(1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol has a molecular weight of 310.55 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol is sourced from PubChem (CID 14979169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).