cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylidenecyclopentan-1-ol

C13H26O2Si — CID 155936770

IUPACcis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylidenecyclopentan-1-ol
SMILESC=C1CC[C@@H](O)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-10-7-8-12(14)11(10)9-15-16(5,6)13(2,3)4/h11-12,14H,1,7-9H2,2-6H3/t11-,12-/m1/s1
InChIKeyQMQPWTVJJFGGEN-VXGBXAGGSA-N
MW242.43 g/mol
LogP3.34
Rot. Bonds3

About cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylidenecyclopentan-1-ol

cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylidenecyclopentan-1-ol (PubChem CID 155936770) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylidenecyclopentan-1-ol
PubChem CID155936770
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Namecis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylidenecyclopentan-1-ol
SMILESC=C1CC[C@@H](O)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-10-7-8-12(14)11(10)9-15-16(5,6)13(2,3)4/h11-12,14H,1,7-9H2,2-6H3/t11-,12-/m1/s1
InChIKeyQMQPWTVJJFGGEN-VXGBXAGGSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523917
(4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523918
(3S,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523927
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993137
(3R,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993187
(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhepta-1,6-dien-4-ol
CID 60170021
(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-3-en-1-ol
CID 60170022
cis-(1S,2R)-2-[(Z)-2-trimethylsilylethenyl]cyclopentan-1-ol
CID 11344422
(3R,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523928
(1R,2R,3R)-2-(2-methylprop-2-enyl)-3-trimethylsilylcyclopentan-1-ol
CID 15248228
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol
CID 72665366
(1R,2R,3S,4R)-2-ethenyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol
CID 72793137

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylidenecyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylidenecyclopentan-1-ol (CID 155936770) is cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylidenecyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylidenecyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylidenecyclopentan-1-ol is C=C1CC[C@@H](O)[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylidenecyclopentan-1-ol?
The InChIKey is QMQPWTVJJFGGEN-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-10-7-8-12(14)11(10)9-15-16(5,6)13(2,3)4/h11-12,14H,1,7-9H2,2-6H3/t11-,12-/m1/s1.
What are the key properties of cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylidenecyclopentan-1-ol?
cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylidenecyclopentan-1-ol has a molecular weight of 242.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylidenecyclopentan-1-ol is sourced from PubChem (CID 155936770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).