cis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol

C18H36OSi — CID 101490649

IUPACcis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol
SMILESCC(C)[Si](C/C=C/[C@H]1CCCC[C@@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C18H36OSi/c1-14(2)20(15(3)4,16(5)6)13-9-11-17-10-7-8-12-18(17)19/h9,11,14-19H,7-8,10,12-13H2,1-6H3/b11-9+/t17-,18+/m1/s1
InChIKeyIHBJOCWXRWLVED-RZAXMFKLSA-N
MW296.57 g/mol
LogP5.77
Rot. Bonds6

About cis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol

cis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol (PubChem CID 101490649) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol
PubChem CID101490649
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Namecis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol
SMILESCC(C)[Si](C/C=C/[C@H]1CCCC[C@@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C18H36OSi/c1-14(2)20(15(3)4,16(5)6)13-9-11-17-10-7-8-12-18(17)19/h9,11,14-19H,7-8,10,12-13H2,1-6H3/b11-9+/t17-,18+/m1/s1
InChIKeyIHBJOCWXRWLVED-RZAXMFKLSA-N
XLogP5.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol with MolForge

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Related Compounds

(E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol
CID 12022452
cis-(1S,2R)-2-[(Z)-hex-1-enyl]cyclohexan-1-ol
CID 13702216
3-(6-Trimethylsilylcyclohex-2-en-1-yl)propan-1-ol
CID 10420734
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
trans-(1R,2R)-2-(1-trimethylsilylprop-2-enyl)cyclohexan-1-ol
CID 14203372
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
(1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol
CID 14979169
2-(1-(Dimethyl((trimethylsilyl)methyl)silyl)ethenyl)cyclohexanol
CID 71423813
2-(6-Trimethylsilylcyclohex-2-en-1-yl)ethanol
CID 73116563
(E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol
CID 101097233

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol (CID 101490649) is cis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol is CC(C)[Si](C/C=C/[C@H]1CCCC[C@@H]1O)(C(C)C)C(C)C.
What is the InChIKey of cis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol?
The InChIKey is IHBJOCWXRWLVED-RZAXMFKLSA-N. The full InChI is InChI=1S/C18H36OSi/c1-14(2)20(15(3)4,16(5)6)13-9-11-17-10-7-8-12-18(17)19/h9,11,14-19H,7-8,10,12-13H2,1-6H3/b11-9+/t17-,18+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol?
cis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol has a molecular weight of 296.57 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 101490649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).