cis-(1S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol

C16H32O2Si — CID 101012121

IUPACcis-(1S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol
SMILESC=C1CC(C)(C)[C@@H](O)[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-12-11-16(5,6)14(17)13(12)9-10-18-19(7,8)15(2,3)4/h13-14,17H,1,9-11H2,2-8H3/t13-,14-/m0/s1
InChIKeyLJVWLFSLYUQPDU-KBPBESRZSA-N
MW284.52 g/mol
LogP4.36
Rot. Bonds4

About cis-(1S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol

cis-(1S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol (PubChem CID 101012121) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is cis-(1S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol
PubChem CID101012121
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Namecis-(1S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol
SMILESC=C1CC(C)(C)[C@@H](O)[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-12-11-16(5,6)14(17)13(12)9-10-18-19(7,8)15(2,3)4/h13-14,17H,1,9-11H2,2-8H3/t13-,14-/m0/s1
InChIKeyLJVWLFSLYUQPDU-KBPBESRZSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.36
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

[(1S,2R,5S)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 57326161
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol
CID 72665366
2-[(1R,2S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-5-methylcyclopentyl]ethanol
CID 101909752
tert-butyl-dimethyl-[[(1R,2S,3S)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]methoxy]silane
CID 135020040
tert-butyl-dimethyl-[[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]methoxy]silane
CID 135020041
[(1R,2R,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020042
[(1S,2R,5S)-2-methyl-5-prop-1-en-2-yl-2-prop-2-enylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020085
[(1R,2R,5R)-2-methyl-5-prop-1-en-2-yl-2-prop-2-enylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020086
tert-butyl-dimethyl-[[(1S,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]methoxy]silane
CID 135020514
tert-butyl-dimethyl-[[(1S,2S,3S)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]methoxy]silane
CID 135020515
[(1S,3S,5S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 139253910
[(1S,3S)-3-methoxy-2,2-dimethyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 139253913

Frequently Asked Questions

What is the IUPAC name of cis-(1S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol?
The IUPAC name of cis-(1S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol (CID 101012121) is cis-(1S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol.
What is the SMILES notation for cis-(1S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol?
The canonical SMILES for cis-(1S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol is C=C1CC(C)(C)[C@@H](O)[C@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-(1S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol?
The InChIKey is LJVWLFSLYUQPDU-KBPBESRZSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-12-11-16(5,6)14(17)13(12)9-10-18-19(7,8)15(2,3)4/h13-14,17H,1,9-11H2,2-8H3/t13-,14-/m0/s1.
What are the key properties of cis-(1S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol?
cis-(1S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol has a molecular weight of 284.52 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol is sourced from PubChem (CID 101012121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).