(2S,4R)-4-[(1S,3S,4S)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol

C26H52O3Si — CID 139253918

IUPAC(2S,4R)-4-[(1S,3S,4S)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
SMILESC=C(C)[C@@H]1C[C@H](O[C@H](C)C[C@H](C)O)C(CC)(CC)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H52O3Si/c1-13-26(14-2)24(28-22(12)15-21(11)27)16-23(17(3)4)25(26)29-30(18(5)6,19(7)8)20(9)10/h18-25,27H,3,13-16H2,1-2,4-12H3/t21-,22+,23-,24-,25-/m0/s1
InChIKeyKNSPCGGFPMLCGL-YCXOGWGTSA-N
MW440.79 g/mol
LogP7.49
Rot. Bonds12

About (2S,4R)-4-[(1S,3S,4S)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol

(2S,4R)-4-[(1S,3S,4S)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol (PubChem CID 139253918) has the molecular formula C26H52O3Si and a molecular weight of 440.79 g/mol. Its IUPAC name is (2S,4R)-4-[(1S,3S,4S)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol.

Molecular Properties

Compound Name(2S,4R)-4-[(1S,3S,4S)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
PubChem CID139253918
Molecular FormulaC26H52O3Si
Molecular Weight440.79 g/mol
Exact Mass440.37
IUPAC Name(2S,4R)-4-[(1S,3S,4S)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
SMILESC=C(C)[C@@H]1C[C@H](O[C@H](C)C[C@H](C)O)C(CC)(CC)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H52O3Si/c1-13-26(14-2)24(28-22(12)15-21(11)27)16-23(17(3)4)25(26)29-30(18(5)6,19(7)8)20(9)10/h18-25,27H,3,13-16H2,1-2,4-12H3/t21-,22+,23-,24-,25-/m0/s1
InChIKeyKNSPCGGFPMLCGL-YCXOGWGTSA-N
XLogP7.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.79
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,4R)-4-[(1S,3S,4S)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol with MolForge

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Related Compounds

2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol
CID 72665366
[(1S,3S,4S)-1-methoxy-3-prop-1-en-2-ylspiro[4.5]decan-4-yl]oxy-tri(propan-2-yl)silane
CID 101809475
[(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
[(1S,3S)-2,2-diethyl-3-methoxy-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 139253914
[(1S,3S)-5-(cyclohexen-1-yl)-3-methoxy-2,2-dimethylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 139253915
[(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane
CID 139253916
(2S,4R)-4-[(1S,3S,4S)-2,2-dimethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
CID 139253917
(2S,4R)-4-[(1S,3S,4S)-3-prop-1-en-2-yl-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol
CID 139253919
(2S,4R)-4-[(1S,3S,4S)-4-(cyclohexen-1-yl)-2,2-dimethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
CID 139253920
(2S,4R)-4-[(1S,3S,4S)-4-(cyclohexen-1-yl)-2,2-diethyl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol
CID 139253921
(2S,4R)-4-[(1S,3S,4S)-3-(cyclohexen-1-yl)-4-tri(propan-2-yl)silyloxyspiro[4.5]decan-1-yl]oxypentan-2-ol
CID 139253922

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[(1S,3S,4S)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol?
The IUPAC name of (2S,4R)-4-[(1S,3S,4S)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol (CID 139253918) is (2S,4R)-4-[(1S,3S,4S)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol.
What is the SMILES notation for (2S,4R)-4-[(1S,3S,4S)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol?
The canonical SMILES for (2S,4R)-4-[(1S,3S,4S)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol is C=C(C)[C@@H]1C[C@H](O[C@H](C)C[C@H](C)O)C(CC)(CC)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S,4R)-4-[(1S,3S,4S)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol?
The InChIKey is KNSPCGGFPMLCGL-YCXOGWGTSA-N. The full InChI is InChI=1S/C26H52O3Si/c1-13-26(14-2)24(28-22(12)15-21(11)27)16-23(17(3)4)25(26)29-30(18(5)6,19(7)8)20(9)10/h18-25,27H,3,13-16H2,1-2,4-12H3/t21-,22+,23-,24-,25-/m0/s1.
What are the key properties of (2S,4R)-4-[(1S,3S,4S)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol?
(2S,4R)-4-[(1S,3S,4S)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol has a molecular weight of 440.79 g/mol, XLogP of 7.49, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[(1S,3S,4S)-2,2-diethyl-4-prop-1-en-2-yl-3-tri(propan-2-yl)silyloxycyclopentyl]oxypentan-2-ol is sourced from PubChem (CID 139253918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).