[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methanol

C18H36O2Si — CID 11335962

IUPAC[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methanol
SMILESCC(C)[C@@H]1CC=C(CO)[C@@]1(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-14(2)16-10-9-15(13-19)18(16,6)11-12-20-21(7,8)17(3,4)5/h9,14,16,19H,10-13H2,1-8H3/t16-,18+/m0/s1
InChIKeyDVVDNSFNCFUJSM-FUHWJXTLSA-N
MW312.57 g/mol
LogP5.00
Rot. Bonds6

About [(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methanol

[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methanol (PubChem CID 11335962) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is [(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methanol.

Molecular Properties

Compound Name[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methanol
PubChem CID11335962
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methanol
SMILESCC(C)[C@@H]1CC=C(CO)[C@@]1(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-14(2)16-10-9-15(13-19)18(16,6)11-12-20-21(7,8)17(3,4)5/h9,14,16,19H,10-13H2,1-8H3/t16-,18+/m0/s1
InChIKeyDVVDNSFNCFUJSM-FUHWJXTLSA-N
XLogP5.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.57
LogP ≤ 55.00
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'}

Analyze [(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methanol with MolForge

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Related Compounds

2-{(1r,2r,6s)-6-[(t-Butyldimethylsiloxy)meth-yl]-5-methylcyclohex-3-en-1-yl}ethanol
CID 129758180
(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-4-en-1-ol
CID 135044249
(E,2R)-7-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-3-en-2-ol
CID 135044264
(1S,4S)-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-ol
CID 138969078
[(3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-1-en-2-ylcyclopenten-1-yl]methanol
CID 10858983
[3-(Hydroxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]methanol
CID 130127294
(4-t-Butyldimethylsilyloxymethylcyclopent-1-en-1-yl)methyl alcohol
CID 54331641
(5-t-Butyldimethylsilyloxymethylcyclopent-1-en-1-yl)methyl alcohol
CID 54371071
[3-({[Tri(propan-2-yl)silyl]oxy}methyl)cyclohex-3-en-1-yl]methanol
CID 59735469
[3,4-Di(t-butyldimethylsilyloxymethyl)cyclopent-1-en-1-yl]methyl alcohol
CID 67554500
3,3,5,8,8-Pentamethyl-11-tri(propan-2-yl)silyloxyundec-5-en-1-ol
CID 123989502
[4,4-Bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopenten-1-yl]methanol
CID 139774093

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methanol?
The IUPAC name of [(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methanol (CID 11335962) is [(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methanol.
What is the SMILES notation for [(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methanol?
The canonical SMILES for [(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methanol is CC(C)[C@@H]1CC=C(CO)[C@@]1(C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methanol?
The InChIKey is DVVDNSFNCFUJSM-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-14(2)16-10-9-15(13-19)18(16,6)11-12-20-21(7,8)17(3,4)5/h9,14,16,19H,10-13H2,1-8H3/t16-,18+/m0/s1.
What are the key properties of [(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methanol?
[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methanol has a molecular weight of 312.57 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-4-propan-2-ylcyclopenten-1-yl]methanol is sourced from PubChem (CID 11335962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).