(2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol

C21H38O3Si — CID 10595091

IUPAC(2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol
SMILESC=C(C)[C@@H]1CC[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/h12,17-20,22H,1,8-11,13-14H2,2-7H3/b16-12-/t17-,18+,19+,20-/m0/s1
InChIKeyBDYDNTRWDKYZGQ-DUYKLVDJSA-N
MW366.62 g/mol
LogP5.08
Rot. Bonds5

About (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol

(2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol (PubChem CID 10595091) has the molecular formula C21H38O3Si and a molecular weight of 366.62 g/mol. Its IUPAC name is (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol.

Molecular Properties

Compound Name(2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol
PubChem CID10595091
Molecular FormulaC21H38O3Si
Molecular Weight366.62 g/mol
Exact Mass366.26
IUPAC Name(2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol
SMILESC=C(C)[C@@H]1CC[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/h12,17-20,22H,1,8-11,13-14H2,2-7H3/b16-12-/t17-,18+,19+,20-/m0/s1
InChIKeyBDYDNTRWDKYZGQ-DUYKLVDJSA-N
XLogP5.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 55.08
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

(E,4S)-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pent-2-en-1-ol
CID 16680394
(4S)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol
CID 11111018
5-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol
CID 68708119
[(1S,2R,5S)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane
CID 10693888
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
tert-butyl-[(1S,2R,5S)-2-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-dimethylsilane
CID 10770979
tri(propan-2-yl)-[(1S,2R,5R)-2-prop-1-en-2-yl-5-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]cyclopentyl]oxysilane
CID 11274317
(2Z)-2-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol
CID 11372032
[(1S,2R,5R)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane
CID 11464555
(2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol
CID 11472865
(2S,3S,4S,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol
CID 11738911
(2S)-1-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]pent-4-en-2-ol
CID 16726292

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol?
The IUPAC name of (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol (CID 10595091) is (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol.
What is the SMILES notation for (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol?
The canonical SMILES for (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol is C=C(C)[C@@H]1CC[C@H]([C@H]2CC/C(=C/CO)CO2)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol?
The InChIKey is BDYDNTRWDKYZGQ-DUYKLVDJSA-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/h12,17-20,22H,1,8-11,13-14H2,2-7H3/b16-12-/t17-,18+,19+,20-/m0/s1.
What are the key properties of (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol?
(2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol has a molecular weight of 366.62 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol is sourced from PubChem (CID 10595091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).