3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclopentyl]pent-3-en-2-ol

C21H40O2Si — CID 10915178

IUPAC3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclopentyl]pent-3-en-2-ol
SMILESC=C(C)[C@@]1(O[Si](CC)(CC)CC)CCC[C@@H]1CC(O)C(C)=C(C)C
InChIInChI=1S/C21H40O2Si/c1-9-24(10-2,11-3)23-21(17(6)7)14-12-13-19(21)15-20(22)18(8)16(4)5/h19-20,22H,6,9-15H2,1-5,7-8H3/t19-,20?,21+/m1/s1
InChIKeyOUJMBBHGLSPEPI-TYVLQRECSA-N
MW352.64 g/mol
LogP6.23
Rot. Bonds9

About 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclopentyl]pent-3-en-2-ol

3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclopentyl]pent-3-en-2-ol (PubChem CID 10915178) has the molecular formula C21H40O2Si and a molecular weight of 352.64 g/mol. Its IUPAC name is 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclopentyl]pent-3-en-2-ol.

Molecular Properties

Compound Name3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclopentyl]pent-3-en-2-ol
PubChem CID10915178
Molecular FormulaC21H40O2Si
Molecular Weight352.64 g/mol
Exact Mass352.28
IUPAC Name3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclopentyl]pent-3-en-2-ol
SMILESC=C(C)[C@@]1(O[Si](CC)(CC)CC)CCC[C@@H]1CC(O)C(C)=C(C)C
InChIInChI=1S/C21H40O2Si/c1-9-24(10-2,11-3)23-21(17(6)7)14-12-13-19(21)15-20(22)18(8)16(4)5/h19-20,22H,6,9-15H2,1-5,7-8H3/t19-,20?,21+/m1/s1
InChIKeyOUJMBBHGLSPEPI-TYVLQRECSA-N
XLogP6.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.64
LogP ≤ 56.23
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

2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 10880626
3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol
CID 11122130
(3R,4RS,7R)-1-(tert-Butyldimethylsilyloxy)-3,7,11-trimethyl-10-dodecen-4-ol
CID 23727931
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
CID 24755010
(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-9-[(1R,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-methylcyclopentyl]-2,6-dimethylnona-2,6-dien-5-ol
CID 91225739
(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
(3R,4R,5R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-(7-hydroxyheptyl)cyclopentane-1,3-diol
CID 134870373
(1E,3R,12R,13S,15R)-13-[tert-butyl(dimethyl)silyl]oxy-15-propan-2-ylbicyclo[10.2.1]pentadec-1-en-3-ol
CID 135067891
(3aR,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2,3,6,6a-tetrahydro-1H-pentalen-3a-ol
CID 138968864
(3aR,9aS)-1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1,4,5,6,7,8,9,9a-octahydrocyclopenta[8]annulen-3a-ol
CID 138968865
(3aR,13aS)-1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclopenta[12]annulen-3a-ol
CID 138968866
(3aR,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4,5,6,7,8,8a-hexahydro-1H-azulen-3a-ol
CID 138971034

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclopentyl]pent-3-en-2-ol?
The IUPAC name of 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclopentyl]pent-3-en-2-ol (CID 10915178) is 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclopentyl]pent-3-en-2-ol.
What is the SMILES notation for 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclopentyl]pent-3-en-2-ol?
The canonical SMILES for 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclopentyl]pent-3-en-2-ol is C=C(C)[C@@]1(O[Si](CC)(CC)CC)CCC[C@@H]1CC(O)C(C)=C(C)C.
What is the InChIKey of 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclopentyl]pent-3-en-2-ol?
The InChIKey is OUJMBBHGLSPEPI-TYVLQRECSA-N. The full InChI is InChI=1S/C21H40O2Si/c1-9-24(10-2,11-3)23-21(17(6)7)14-12-13-19(21)15-20(22)18(8)16(4)5/h19-20,22H,6,9-15H2,1-5,7-8H3/t19-,20?,21+/m1/s1.
What are the key properties of 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclopentyl]pent-3-en-2-ol?
3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclopentyl]pent-3-en-2-ol has a molecular weight of 352.64 g/mol, XLogP of 6.23, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclopentyl]pent-3-en-2-ol is sourced from PubChem (CID 10915178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).