(2E)-2-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]ethanol

C21H38O3Si — CID 101096077

IUPAC(2E)-2-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]ethanol
SMILESCC(C)=C1CC[C@H]([C@H]2CC/C(=C\CO)CO2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O3Si/c1-15(2)17-9-10-18(19-11-8-16(12-13-22)14-23-19)20(17)24-25(6,7)21(3,4)5/h12,18-20,22H,8-11,13-14H2,1-7H3/b16-12+/t18-,19-,20+/m1/s1
InChIKeyBWQYQNNZUSRZAO-VMILJWFASA-N
MW366.62 g/mol
LogP5.22
Rot. Bonds4

About (2E)-2-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]ethanol

(2E)-2-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]ethanol (PubChem CID 101096077) has the molecular formula C21H38O3Si and a molecular weight of 366.62 g/mol. Its IUPAC name is (2E)-2-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]ethanol.

Molecular Properties

Compound Name(2E)-2-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]ethanol
PubChem CID101096077
Molecular FormulaC21H38O3Si
Molecular Weight366.62 g/mol
Exact Mass366.26
IUPAC Name(2E)-2-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]ethanol
SMILESCC(C)=C1CC[C@H]([C@H]2CC/C(=C\CO)CO2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O3Si/c1-15(2)17-9-10-18(19-11-8-16(12-13-22)14-23-19)20(17)24-25(6,7)21(3,4)5/h12,18-20,22H,8-11,13-14H2,1-7H3/b16-12+/t18-,19-,20+/m1/s1
InChIKeyBWQYQNNZUSRZAO-VMILJWFASA-N
XLogP5.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 55.22
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'}

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Related Compounds

methyl (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]acetate
CID 10715671
(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-one
CID 10569049
2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]ethanol
CID 66750404
4-[6-[tert-butyl(dimethyl)silyl]oxycyclodecylidene]butan-1-ol
CID 10427395
(1R,8S,12R,13R)-12-[tert-butyl(dimethyl)silyl]oxy-9-propan-2-ylidenetricyclo[6.3.2.04,13]tridec-4-en-6-one
CID 125035834
(1R,8R,12S,13R)-12-[tert-butyl(dimethyl)silyl]oxy-9-propan-2-ylidenetricyclo[6.3.2.04,13]tridec-4-en-6-one
CID 125035833
[(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(3-hydroxypropylidene)-7-oxo-6-oxabicyclo[3.2.1]octan-1-yl] acetate
CID 91102862
(2Z)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethanol
CID 18654178
(2E)-2-[(3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethanol
CID 101099401
(1S,2S,3R,4S,5R,6R)-10-[tert-butyl(dimethyl)silyl]oxy-11-propan-2-ylidenetricyclo[4.3.1.12,5]undecane-3,4-diol
CID 11046408
[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tritiooxolan-2-yl]methanol
CID 138965172
(2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol
CID 14483735

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]ethanol?
The IUPAC name of (2E)-2-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]ethanol (CID 101096077) is (2E)-2-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]ethanol.
What is the SMILES notation for (2E)-2-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]ethanol?
The canonical SMILES for (2E)-2-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]ethanol is CC(C)=C1CC[C@H]([C@H]2CC/C(=C\CO)CO2)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E)-2-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]ethanol?
The InChIKey is BWQYQNNZUSRZAO-VMILJWFASA-N. The full InChI is InChI=1S/C21H38O3Si/c1-15(2)17-9-10-18(19-11-8-16(12-13-22)14-23-19)20(17)24-25(6,7)21(3,4)5/h12,18-20,22H,8-11,13-14H2,1-7H3/b16-12+/t18-,19-,20+/m1/s1.
What are the key properties of (2E)-2-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]ethanol?
(2E)-2-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]ethanol has a molecular weight of 366.62 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]ethanol is sourced from PubChem (CID 101096077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).