(E,3S)-1-[(1R,2S)-2-tri(propan-2-yl)silyloxycyclopentyl]hept-1-en-3-ol

C21H42O2Si — CID 71619638

IUPAC(E,3S)-1-[(1R,2S)-2-tri(propan-2-yl)silyloxycyclopentyl]hept-1-en-3-ol
SMILESCCCC[C@H](O)/C=C/[C@H]1CCC[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H42O2Si/c1-8-9-12-20(22)15-14-19-11-10-13-21(19)23-24(16(2)3,17(4)5)18(6)7/h14-22H,8-13H2,1-7H3/b15-14+/t19-,20+,21+/m1/s1
InChIKeyAVUFYRMMDMCWQL-MBTLSUMZSA-N
MW354.65 g/mol
LogP6.45
Rot. Bonds10

About (E,3S)-1-[(1R,2S)-2-tri(propan-2-yl)silyloxycyclopentyl]hept-1-en-3-ol

(E,3S)-1-[(1R,2S)-2-tri(propan-2-yl)silyloxycyclopentyl]hept-1-en-3-ol (PubChem CID 71619638) has the molecular formula C21H42O2Si and a molecular weight of 354.65 g/mol. Its IUPAC name is (E,3S)-1-[(1R,2S)-2-tri(propan-2-yl)silyloxycyclopentyl]hept-1-en-3-ol.

Molecular Properties

Compound Name(E,3S)-1-[(1R,2S)-2-tri(propan-2-yl)silyloxycyclopentyl]hept-1-en-3-ol
PubChem CID71619638
Molecular FormulaC21H42O2Si
Molecular Weight354.65 g/mol
Exact Mass354.30
IUPAC Name(E,3S)-1-[(1R,2S)-2-tri(propan-2-yl)silyloxycyclopentyl]hept-1-en-3-ol
SMILESCCCC[C@H](O)/C=C/[C@H]1CCC[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H42O2Si/c1-8-9-12-20(22)15-14-19-11-10-13-21(19)23-24(16(2)3,17(4)5)18(6)7/h14-22H,8-13H2,1-7H3/b15-14+/t19-,20+,21+/m1/s1
InChIKeyAVUFYRMMDMCWQL-MBTLSUMZSA-N
XLogP6.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.65
LogP ≤ 56.45
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 (E,3S)-1-[(1R,2S)-2-tri(propan-2-yl)silyloxycyclopentyl]hept-1-en-3-ol with MolForge

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Related Compounds

(1E,3R,4S,5E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-1-iodo-2,6-dimethyldeca-1,5,9-trien-3-ol
CID 134953226
(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-4,4-difluoro-3-hydroxyoct-1-enyl]-3-methylidenecyclopentan-1-ol
CID 70592977
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol
CID 11209176
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol
CID 11709440
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(1R,6R,8aS)-3,3,6-trimethyl-7-[tri(propan-2-yl)silyloxymethyl]-2,5,6,8a-tetrahydro-1H-azulen-1-ol
CID 23643475
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(1Z,3S,12R,13S,15R)-13-[tert-butyl(dimethyl)silyl]oxy-15-propan-2-ylbicyclo[10.2.1]pentadec-1-en-3-ol
CID 101049806
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol
CID 102174700
(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol
CID 122371221

Frequently Asked Questions

What is the IUPAC name of (E,3S)-1-[(1R,2S)-2-tri(propan-2-yl)silyloxycyclopentyl]hept-1-en-3-ol?
The IUPAC name of (E,3S)-1-[(1R,2S)-2-tri(propan-2-yl)silyloxycyclopentyl]hept-1-en-3-ol (CID 71619638) is (E,3S)-1-[(1R,2S)-2-tri(propan-2-yl)silyloxycyclopentyl]hept-1-en-3-ol.
What is the SMILES notation for (E,3S)-1-[(1R,2S)-2-tri(propan-2-yl)silyloxycyclopentyl]hept-1-en-3-ol?
The canonical SMILES for (E,3S)-1-[(1R,2S)-2-tri(propan-2-yl)silyloxycyclopentyl]hept-1-en-3-ol is CCCC[C@H](O)/C=C/[C@H]1CCC[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E,3S)-1-[(1R,2S)-2-tri(propan-2-yl)silyloxycyclopentyl]hept-1-en-3-ol?
The InChIKey is AVUFYRMMDMCWQL-MBTLSUMZSA-N. The full InChI is InChI=1S/C21H42O2Si/c1-8-9-12-20(22)15-14-19-11-10-13-21(19)23-24(16(2)3,17(4)5)18(6)7/h14-22H,8-13H2,1-7H3/b15-14+/t19-,20+,21+/m1/s1.
What are the key properties of (E,3S)-1-[(1R,2S)-2-tri(propan-2-yl)silyloxycyclopentyl]hept-1-en-3-ol?
(E,3S)-1-[(1R,2S)-2-tri(propan-2-yl)silyloxycyclopentyl]hept-1-en-3-ol has a molecular weight of 354.65 g/mol, XLogP of 6.45, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-1-[(1R,2S)-2-tri(propan-2-yl)silyloxycyclopentyl]hept-1-en-3-ol is sourced from PubChem (CID 71619638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).