4,6,6-trimethyl-5-(5-trimethylsilylpent-3-ynyl)cyclohex-3-en-1-ol

C17H30OSi — CID 10755091

IUPAC4,6,6-trimethyl-5-(5-trimethylsilylpent-3-ynyl)cyclohex-3-en-1-ol
SMILESCC1=CCC(O)C(C)(C)C1CCC#CC[Si](C)(C)C
InChIInChI=1S/C17H30OSi/c1-14-11-12-16(18)17(2,3)15(14)10-8-7-9-13-19(4,5)6/h11,15-16,18H,8,10,12-13H2,1-6H3
InChIKeyXRPYFHFAQYNRJE-UHFFFAOYSA-N
MW278.51 g/mol
LogP4.46
Rot. Bonds3

About 4,6,6-trimethyl-5-(5-trimethylsilylpent-3-ynyl)cyclohex-3-en-1-ol

4,6,6-trimethyl-5-(5-trimethylsilylpent-3-ynyl)cyclohex-3-en-1-ol (PubChem CID 10755091) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is 4,6,6-trimethyl-5-(5-trimethylsilylpent-3-ynyl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name4,6,6-trimethyl-5-(5-trimethylsilylpent-3-ynyl)cyclohex-3-en-1-ol
PubChem CID10755091
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name4,6,6-trimethyl-5-(5-trimethylsilylpent-3-ynyl)cyclohex-3-en-1-ol
SMILESCC1=CCC(O)C(C)(C)C1CCC#CC[Si](C)(C)C
InChIInChI=1S/C17H30OSi/c1-14-11-12-16(18)17(2,3)15(14)10-8-7-9-13-19(4,5)6/h11,15-16,18H,8,10,12-13H2,1-6H3
InChIKeyXRPYFHFAQYNRJE-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2,6,6-Trimethyl-1-[1-hydroxy-2-butynyl]-2-cyclohexene
CID 12931925
(1S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-pent-4-ynylcyclohex-3-en-1-ol
CID 11163507
(1R,6R)-5,5,6-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohex-2-en-1-ol
CID 14221277
(1R,6R)-4-tert-butyl-6-trimethylsilylcyclohex-3-en-1-ol
CID 14984257
(E,2S)-2-pent-4-enyl-2-(2-trimethylsilylethynyl)oct-6-en-1-ol
CID 53493823
(3S,6R)-6,10-dimethyl-5-methylidene-1-trimethylsilylundec-9-en-1-yn-3-ol
CID 134964317
(4R,6S)-3,3,6,10-tetramethyl-1-trimethylsilylundec-9-en-1-yn-4-ol
CID 134967878
(3R,4S)-4-[(E)-prop-1-enyl]-1-trimethylsilyloct-1-yn-3-ol
CID 134972259
(4S,6S)-6,10-dimethyl-2-(trimethylsilylmethyl)undeca-1,9-dien-4-ol
CID 162404135
(4aS,6S,7R)-3,5,5,9-tetramethyl-7-trimethylsilyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-6-ol
CID 11716275
1-(4-Trimethylsilylmethyl-3-cyclohexenyl)-5-methyl-4-hexen-1-ol
CID 101621183
3,5,5-trimethyl-4-[(E)-3-methylhex-3-en-1-ynyl]cyclohex-3-en-1-ol
CID 54384675

Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethyl-5-(5-trimethylsilylpent-3-ynyl)cyclohex-3-en-1-ol?
The IUPAC name of 4,6,6-trimethyl-5-(5-trimethylsilylpent-3-ynyl)cyclohex-3-en-1-ol (CID 10755091) is 4,6,6-trimethyl-5-(5-trimethylsilylpent-3-ynyl)cyclohex-3-en-1-ol.
What is the SMILES notation for 4,6,6-trimethyl-5-(5-trimethylsilylpent-3-ynyl)cyclohex-3-en-1-ol?
The canonical SMILES for 4,6,6-trimethyl-5-(5-trimethylsilylpent-3-ynyl)cyclohex-3-en-1-ol is CC1=CCC(O)C(C)(C)C1CCC#CC[Si](C)(C)C.
What is the InChIKey of 4,6,6-trimethyl-5-(5-trimethylsilylpent-3-ynyl)cyclohex-3-en-1-ol?
The InChIKey is XRPYFHFAQYNRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OSi/c1-14-11-12-16(18)17(2,3)15(14)10-8-7-9-13-19(4,5)6/h11,15-16,18H,8,10,12-13H2,1-6H3.
What are the key properties of 4,6,6-trimethyl-5-(5-trimethylsilylpent-3-ynyl)cyclohex-3-en-1-ol?
4,6,6-trimethyl-5-(5-trimethylsilylpent-3-ynyl)cyclohex-3-en-1-ol has a molecular weight of 278.51 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethyl-5-(5-trimethylsilylpent-3-ynyl)cyclohex-3-en-1-ol is sourced from PubChem (CID 10755091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).