6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol

C22H40O2Si — CID 10546759

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol
SMILESC=C1CCCC(C)(C)C1CCC(C)(O)C#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40O2Si/c1-18-12-10-14-21(5,6)19(18)13-16-22(7,23)15-11-17-24-25(8,9)20(2,3)4/h19,23H,1,10,12-14,16-17H2,2-9H3
InChIKeyCQIATZBDHSXNMY-UHFFFAOYSA-N
MW364.65 g/mol
LogP5.93
Rot. Bonds5

About 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol

6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol (PubChem CID 10546759) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol
PubChem CID10546759
Molecular FormulaC22H40O2Si
Molecular Weight364.65 g/mol
Exact Mass364.28
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol
SMILESC=C1CCCC(C)(C)C1CCC(C)(O)C#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40O2Si/c1-18-12-10-14-21(5,6)19(18)13-16-22(7,23)15-11-17-24-25(8,9)20(2,3)4/h19,23H,1,10,12-14,16-17H2,2-9H3
InChIKeyCQIATZBDHSXNMY-UHFFFAOYSA-N
XLogP5.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.65
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Buzhysxwcxkzpr-cabcvrresa-
CID 14563305
1-[4-[Tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-1-ol
CID 11702539
(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]hex-3-yn-1-ol
CID 71770729
trans-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-methylidene-3-pent-4-ynylcyclohexan-1-ol
CID 135066800
1-(t-Butyldimethylsilyl)-4-(2,2-dimethyl-6-methylene-cyclohexyl)-butan-1-ol
CID 554440
(7R)-7-[(3aR,4S,7aS)-7a-methyl-4-trimethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl]-3-ethyloct-4-yn-3-ol
CID 57108542
(R)-6-[(4aR,5S,8aS)-5-(tert-butyl-dimethyl-silanyloxy)-8a-methyl-3,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-yl]-2-methyl-hept-3-yn-2-ol
CID 57153816
6-[(4aR,5S,8aS)-5-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl]-2-methylhept-3-yn-2-ol
CID 67564262
3a,4,5,6,7,7a-hexahydro-1-[1-methyl-5-ethyl-5-hydroxy-3-heptynyl)-7a-methyl-4-[(trimethylsilyl)oxy]-3H-indene
CID 76481171
6-[(7aS)-7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl]-2-methylhept-3-yn-2-ol
CID 140598316
Tert-butyl-ethoxy-dimethylsilane;4-(2,2-dimethyl-6-methylidenecyclohexyl)-2-methylbutan-2-ol;ethane
CID 5314490
(1R,2R,3S)-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3-dimethyl-2-prop-2-enylcyclohexan-1-ol
CID 11393663

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol (CID 10546759) is 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol is C=C1CCCC(C)(C)C1CCC(C)(O)C#CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol?
The InChIKey is CQIATZBDHSXNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2Si/c1-18-12-10-14-21(5,6)19(18)13-16-22(7,23)15-11-17-24-25(8,9)20(2,3)4/h19,23H,1,10,12-14,16-17H2,2-9H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol?
6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol has a molecular weight of 364.65 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol is sourced from PubChem (CID 10546759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).