(1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol

C20H42O3Si2 — CID 15543738

IUPAC(1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)/C=C\[C@@H](O)C1
InChIInChI=1S/C20H42O3Si2/c1-19(2,3)24(7,8)22-17-12-11-16(21)15-18(14-13-17)23-25(9,10)20(4,5)6/h11-12,16-18,21H,13-15H2,1-10H3/b12-11-/t16-,17-,18-/m1/s1
InChIKeyHGTXLVFMCDMVLP-GCNJGVOGSA-N
MW386.73 g/mol
LogP5.87
Rot. Bonds4

About (1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol

(1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol (PubChem CID 15543738) has the molecular formula C20H42O3Si2 and a molecular weight of 386.73 g/mol. Its IUPAC name is (1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol.

Molecular Properties

Compound Name(1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol
PubChem CID15543738
Molecular FormulaC20H42O3Si2
Molecular Weight386.73 g/mol
Exact Mass386.27
IUPAC Name(1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)/C=C\[C@@H](O)C1
InChIInChI=1S/C20H42O3Si2/c1-19(2,3)24(7,8)22-17-12-11-16(21)15-18(14-13-17)23-25(9,10)20(4,5)6/h11-12,16-18,21H,13-15H2,1-10H3/b12-11-/t16-,17-,18-/m1/s1
InChIKeyHGTXLVFMCDMVLP-GCNJGVOGSA-N
XLogP5.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.73
LogP ≤ 55.87
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

(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11696163
2-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(Z,5S,6S,7S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorododec-2-ene-1,5,6,7-tetrol
CID 135018190
(Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol
CID 11455339
(E)-3-trimethylsilyldodec-2-ene-1,4-diol
CID 13382778
5-[Tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol
CID 24795825
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(3R,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxydeca-1,9-diene-5,6-diol
CID 50915370
(3R,4S,6R)-3,4-bis[tri(propan-2-yl)silyloxy]tridec-1-en-6-ol
CID 56594145
(3E)-1-[tert-butyl(dimethyl)silyl]oxy-3-hexylnona-3,8-dien-2-ol
CID 101365455
(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol
CID 101808796
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-en-1-ol
CID 134846881

Frequently Asked Questions

What is the IUPAC name of (1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol?
The IUPAC name of (1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol (CID 15543738) is (1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol.
What is the SMILES notation for (1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol?
The canonical SMILES for (1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)/C=C\[C@@H](O)C1.
What is the InChIKey of (1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol?
The InChIKey is HGTXLVFMCDMVLP-GCNJGVOGSA-N. The full InChI is InChI=1S/C20H42O3Si2/c1-19(2,3)24(7,8)22-17-12-11-16(21)15-18(14-13-17)23-25(9,10)20(4,5)6/h11-12,16-18,21H,13-15H2,1-10H3/b12-11-/t16-,17-,18-/m1/s1.
What are the key properties of (1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol?
(1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol has a molecular weight of 386.73 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2Z,4S,7R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclooct-2-en-1-ol is sourced from PubChem (CID 15543738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).