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

C19H34O2Si — CID 11702539

IUPAC1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-1-ol
SMILESC#CCC(O)C1C(=C)CC(O[Si](C)(C)C(C)(C)C)CC1(C)C
InChIInChI=1S/C19H34O2Si/c1-10-11-16(20)17-14(2)12-15(13-19(17,6)7)21-22(8,9)18(3,4)5/h1,15-17,20H,2,11-13H2,3-9H3
InChIKeyLFAILRHZQQKSKX-UHFFFAOYSA-N
MW322.57 g/mol
LogP4.75
Rot. Bonds4

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

1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-1-ol (PubChem CID 11702539) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-1-ol.

Molecular Properties

Compound Name1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-1-ol
PubChem CID11702539
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Name1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-1-ol
SMILESC#CCC(O)C1C(=C)CC(O[Si](C)(C)C(C)(C)C)CC1(C)C
InChIInChI=1S/C19H34O2Si/c1-10-11-16(20)17-14(2)12-15(13-19(17,6)7)21-22(8,9)18(3,4)5/h1,15-17,20H,2,11-13H2,3-9H3
InChIKeyLFAILRHZQQKSKX-UHFFFAOYSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.57
LogP ≤ 54.75
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

[(1R,4aR,5S,6R,8aS)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,8a-dimethyl-2-methylidene-6-triethylsilyloxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
CID 11191463
Buzhysxwcxkzpr-cabcvrresa-
CID 14563305
6-[Tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol
CID 10546759
[(1S,4aR,5S,6R,8aS)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,8a-dimethyl-2-methylidene-6-triethylsilyloxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
CID 134934876
trans-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-methylidene-3-pent-4-ynylcyclohexan-1-ol
CID 135066800
(2S,3S)-2-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-methylidenecyclohexyl]-3-methylpent-4-en-1-ol
CID 164674454
(3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-methyl-5-methylideneheptan-3-ol
CID 10594312
(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-5-methyl-3-methylidenehexan-1-ol
CID 10832006
2-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]ethanol
CID 11770990
2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]ethanol
CID 14527313
(3S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-methyl-5-methylideneheptan-3-ol
CID 15356211
[(1R,4aR,5S,6R,8aR)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,8a-dimethyl-2-methylidene-6-triethylsilyloxy-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
CID 101763646

Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-1-ol?
The IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-1-ol (CID 11702539) is 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-1-ol.
What is the SMILES notation for 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-1-ol?
The canonical SMILES for 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-1-ol is C#CCC(O)C1C(=C)CC(O[Si](C)(C)C(C)(C)C)CC1(C)C.
What is the InChIKey of 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-1-ol?
The InChIKey is LFAILRHZQQKSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-10-11-16(20)17-14(2)12-15(13-19(17,6)7)21-22(8,9)18(3,4)5/h1,15-17,20H,2,11-13H2,3-9H3.
What are the key properties of 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-1-ol?
1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-1-ol has a molecular weight of 322.57 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-1-ol is sourced from PubChem (CID 11702539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).