(2E)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol

C20H36O4Si — CID 135027282

IUPAC(2E)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol
SMILESCC1=C[C@H](O[Si](C)(C)C(C)(C)C)/C(=C/CO)C([C@H]2COC(C)(C)O2)C1
InChIInChI=1S/C20H36O4Si/c1-14-11-16(18-13-22-20(5,6)23-18)15(9-10-21)17(12-14)24-25(7,8)19(2,3)4/h9,12,16-18,21H,10-11,13H2,1-8H3/b15-9+/t16?,17-,18+/m0/s1
InChIKeyCJAPTARESXBODU-UEQMZLSLSA-N
MW368.59 g/mol
LogP4.41
Rot. Bonds4

About (2E)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol

(2E)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol (PubChem CID 135027282) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (2E)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol.

Molecular Properties

Compound Name(2E)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol
PubChem CID135027282
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Name(2E)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol
SMILESCC1=C[C@H](O[Si](C)(C)C(C)(C)C)/C(=C/CO)C([C@H]2COC(C)(C)O2)C1
InChIInChI=1S/C20H36O4Si/c1-14-11-16(18-13-22-20(5,6)23-18)15(9-10-21)17(12-14)24-25(7,8)19(2,3)4/h9,12,16-18,21H,10-11,13H2,1-8H3/b15-9+/t16?,17-,18+/m0/s1
InChIKeyCJAPTARESXBODU-UEQMZLSLSA-N
XLogP4.41
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol?
The IUPAC name of (2E)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol (CID 135027282) is (2E)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol.
What is the SMILES notation for (2E)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol?
The canonical SMILES for (2E)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol is CC1=C[C@H](O[Si](C)(C)C(C)(C)C)/C(=C/CO)C([C@H]2COC(C)(C)O2)C1.
What is the InChIKey of (2E)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol?
The InChIKey is CJAPTARESXBODU-UEQMZLSLSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-14-11-16(18-13-22-20(5,6)23-18)15(9-10-21)17(12-14)24-25(7,8)19(2,3)4/h9,12,16-18,21H,10-11,13H2,1-8H3/b15-9+/t16?,17-,18+/m0/s1.
What are the key properties of (2E)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol?
(2E)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol has a molecular weight of 368.59 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol is sourced from PubChem (CID 135027282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).