cis-(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexan-1-ol

C13H26OSi — CID 135066873

IUPACcis-(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexan-1-ol
SMILESCC(/C=C/[C@@H]1CCCC[C@H]1O)[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-11(15(2,3)4)9-10-12-7-5-6-8-13(12)14/h9-14H,5-8H2,1-4H3/b10-9+/t11?,12-,13+/m0/s1
InChIKeyAWEOIZLYWLGZGJ-SWUMAXRHSA-N
MW226.44 g/mol
LogP3.82
Rot. Bonds3

About cis-(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexan-1-ol

cis-(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexan-1-ol (PubChem CID 135066873) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexan-1-ol
PubChem CID135066873
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Namecis-(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexan-1-ol
SMILESCC(/C=C/[C@@H]1CCCC[C@H]1O)[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-11(15(2,3)4)9-10-12-7-5-6-8-13(12)14/h9-14H,5-8H2,1-4H3/b10-9+/t11?,12-,13+/m0/s1
InChIKeyAWEOIZLYWLGZGJ-SWUMAXRHSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 53.82
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'}

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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
(E,1S)-1-cyclohexylpent-3-en-1-ol
CID 68912697
(E)-1-cyclohexyl-3-triethylsilylprop-2-en-1-ol
CID 10060901
3-(6-Trimethylsilylcyclohex-2-en-1-yl)propan-1-ol
CID 10420734
(E)-1-cyclohexylpent-3-en-1-ol
CID 10866743
cis-(1R,2S)-2-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-ol
CID 10932774
[(1R,2R)-2-trimethylsilylcyclohex-3-en-1-yl]methanol
CID 10976178
(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
(2-Trimethylsilylcyclohex-3-en-1-yl)methanol
CID 14961467

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexan-1-ol (CID 135066873) is cis-(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexan-1-ol is CC(/C=C/[C@@H]1CCCC[C@H]1O)[Si](C)(C)C.
What is the InChIKey of cis-(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexan-1-ol?
The InChIKey is AWEOIZLYWLGZGJ-SWUMAXRHSA-N. The full InChI is InChI=1S/C13H26OSi/c1-11(15(2,3)4)9-10-12-7-5-6-8-13(12)14/h9-14H,5-8H2,1-4H3/b10-9+/t11?,12-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexan-1-ol?
cis-(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexan-1-ol has a molecular weight of 226.44 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 135066873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).