(2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol

C15H27FO2Si — CID 11173706

IUPAC(2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol
SMILESC=C1/C(=C\CO)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1F
InChIInChI=1S/C15H27FO2Si/c1-11-12(7-8-17)9-13(10-14(11)16)18-19(5,6)15(2,3)4/h7,13-14,17H,1,8-10H2,2-6H3/b12-7-/t13-,14+/m1/s1
InChIKeyUNZOGRGDTQTDIX-SADRXWBLSA-N
MW286.46 g/mol
LogP3.98
Rot. Bonds3

About (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol

(2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol (PubChem CID 11173706) has the molecular formula C15H27FO2Si and a molecular weight of 286.46 g/mol. Its IUPAC name is (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol.

Molecular Properties

Compound Name(2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol
PubChem CID11173706
Molecular FormulaC15H27FO2Si
Molecular Weight286.46 g/mol
Exact Mass286.18
IUPAC Name(2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol
SMILESC=C1/C(=C\CO)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1F
InChIInChI=1S/C15H27FO2Si/c1-11-12(7-8-17)9-13(10-14(11)16)18-19(5,6)15(2,3)4/h7,13-14,17H,1,8-10H2,2-6H3/b12-7-/t13-,14+/m1/s1
InChIKeyUNZOGRGDTQTDIX-SADRXWBLSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S,Z)-2-(5-((tert-butyldiMethylsilyl)oxy)-2-Methylenecyclohexylidene)ethanol
CID 11119109
(2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol
CID 14483735
(2Z)-2-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol
CID 57710552
tert-butyl-[(3S,5Z)-3-fluoro-4-methylidene-5-propylidenecyclohexyl]oxy-dimethylsilane
CID 57710563
2-[5-[Tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol
CID 76599888
2-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol
CID 91084795
(Z)-2-((3S,5R)-3,5-bis((tert-butyldiMethylsilyl)oxy)-2-Methylenecyclohexylidene)ethanol
CID 10179011
2-(3-Trimethylsilylpropylidene)cyclohexan-1-ol
CID 86091765
(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol
CID 11044370
(E)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethan-1-ol
CID 10862239
(Z)-2-((3R,5R)-3,5-Bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethan-1-ol
CID 11112122
(2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]ethanol
CID 11129332

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol?
The IUPAC name of (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol (CID 11173706) is (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol.
What is the SMILES notation for (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol?
The canonical SMILES for (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol is C=C1/C(=C\CO)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1F.
What is the InChIKey of (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol?
The InChIKey is UNZOGRGDTQTDIX-SADRXWBLSA-N. The full InChI is InChI=1S/C15H27FO2Si/c1-11-12(7-8-17)9-13(10-14(11)16)18-19(5,6)15(2,3)4/h7,13-14,17H,1,8-10H2,2-6H3/b12-7-/t13-,14+/m1/s1.
What are the key properties of (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol?
(2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol has a molecular weight of 286.46 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol is sourced from PubChem (CID 11173706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).