cis-(1R,5R)-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol

C16H30O2Si — CID 101087341

IUPACcis-(1R,5R)-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol
SMILESC=C1CC(C)(C)[C@H](O)[C@@H]1/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-12-11-16(5,6)14(17)13(12)9-10-18-19(7,8)15(2,3)4/h9-10,13-14,17H,1,11H2,2-8H3/b10-9+/t13-,14-/m1/s1
InChIKeyMRMDWTTZNDFBBL-NPUYYSGSSA-N
MW282.50 g/mol
LogP4.49
Rot. Bonds3

About cis-(1R,5R)-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol

cis-(1R,5R)-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol (PubChem CID 101087341) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is cis-(1R,5R)-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,5R)-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol
PubChem CID101087341
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Namecis-(1R,5R)-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol
SMILESC=C1CC(C)(C)[C@H](O)[C@@H]1/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-12-11-16(5,6)14(17)13(12)9-10-18-19(7,8)15(2,3)4/h9-10,13-14,17H,1,11H2,2-8H3/b10-9+/t13-,14-/m1/s1
InChIKeyMRMDWTTZNDFBBL-NPUYYSGSSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol
CID 72665366
[(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol
CID 134964905
cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylidenecyclopentan-1-ol
CID 155936770
2-methyl-2-[(E)-2-trimethylsilylethenyl]cyclopentan-1-ol
CID 14533122
(1R,2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol
CID 60153121
[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylidenecyclopentyl]methanol
CID 66524754
cis-(1S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol
CID 101012121

Frequently Asked Questions

What is the IUPAC name of cis-(1R,5R)-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol?
The IUPAC name of cis-(1R,5R)-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol (CID 101087341) is cis-(1R,5R)-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol.
What is the SMILES notation for cis-(1R,5R)-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol?
The canonical SMILES for cis-(1R,5R)-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol is C=C1CC(C)(C)[C@H](O)[C@@H]1/C=C/O[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-(1R,5R)-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol?
The InChIKey is MRMDWTTZNDFBBL-NPUYYSGSSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-12-11-16(5,6)14(17)13(12)9-10-18-19(7,8)15(2,3)4/h9-10,13-14,17H,1,11H2,2-8H3/b10-9+/t13-,14-/m1/s1.
What are the key properties of cis-(1R,5R)-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol?
cis-(1R,5R)-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol has a molecular weight of 282.50 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,5R)-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol is sourced from PubChem (CID 101087341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).