trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate

C15H31OSi2- — CID 135010036

IUPACtrans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate
SMILESC[Si](C)(C)/C=C/C([C@@H]1CCCC[C@H]1[O-])[Si](C)(C)C
InChIInChI=1S/C15H31OSi2/c1-17(2,3)12-11-15(18(4,5)6)13-9-7-8-10-14(13)16/h11-15H,7-10H2,1-6H3/q-1/b12-11+/t13-,14-,15?/m1/s1
InChIKeyVVGCZMPTYPSYAQ-PHUNFVIHSA-N
MW283.58 g/mol
LogP4.05
Rot. Bonds4

About trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate

trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate (PubChem CID 135010036) has the molecular formula C15H31OSi2- and a molecular weight of 283.58 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate
PubChem CID135010036
Molecular FormulaC15H31OSi2-
Molecular Weight283.58 g/mol
Exact Mass283.19
IUPAC Nametrans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate
SMILESC[Si](C)(C)/C=C/C([C@@H]1CCCC[C@H]1[O-])[Si](C)(C)C
InChIInChI=1S/C15H31OSi2/c1-17(2,3)12-11-15(18(4,5)6)13-9-7-8-10-14(13)16/h11-15H,7-10H2,1-6H3/q-1/b12-11+/t13-,14-,15?/m1/s1
InChIKeyVVGCZMPTYPSYAQ-PHUNFVIHSA-N
XLogP4.05
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.58
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate with MolForge

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Related Compounds

(E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol
CID 12022452
Tert-butyl-(1-cyclohexylprop-2-enoxy)-dimethylsilane
CID 11253834
(E)-1-cyclohexyl-3-triethylsilylprop-2-en-1-ol
CID 10060901
Silane, [(1-cyclohexyl-2-propenyl)oxy]trimethyl-
CID 10910863
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
cis-(1S,2R)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohexan-1-ol
CID 15263617
2-(1-(Dimethyl((trimethylsilyl)methyl)silyl)ethenyl)cyclohexanol
CID 71423813
trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-ol
CID 101593845
cis-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane
CID 134875272

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate?
The IUPAC name of trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate (CID 135010036) is trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate.
What is the SMILES notation for trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate?
The canonical SMILES for trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate is C[Si](C)(C)/C=C/C([C@@H]1CCCC[C@H]1[O-])[Si](C)(C)C.
What is the InChIKey of trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate?
The InChIKey is VVGCZMPTYPSYAQ-PHUNFVIHSA-N. The full InChI is InChI=1S/C15H31OSi2/c1-17(2,3)12-11-15(18(4,5)6)13-9-7-8-10-14(13)16/h11-15H,7-10H2,1-6H3/q-1/b12-11+/t13-,14-,15?/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate?
trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate has a molecular weight of 283.58 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate is sourced from PubChem (CID 135010036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).