2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;(5,6-dimethylcyclohex-3-en-1-yl)methanol

C26H50O2Si — CID 164987019

IUPAC2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;(5,6-dimethylcyclohex-3-en-1-yl)methanol
SMILESCC1C=CCC(CO)C1C.CC1C=CCC(CO[Si](C)(C)C(C)(C)C(C)C)C1C
InChIInChI=1S/C17H34OSi.C9H16O/c1-13(2)17(5,6)19(7,8)18-12-16-11-9-10-14(3)15(16)4;1-7-4-3-5-9(6-10)8(7)2/h9-10,13-16H,11-12H2,1-8H3;3-4,7-10H,5-6H2,1-2H3
InChIKeyGHPYXKMNKDDCJI-UHFFFAOYSA-N
MW422.77 g/mol
LogP7.32
Rot. Bonds6

About 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;(5,6-dimethylcyclohex-3-en-1-yl)methanol

2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;(5,6-dimethylcyclohex-3-en-1-yl)methanol (PubChem CID 164987019) has the molecular formula C26H50O2Si and a molecular weight of 422.77 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;(5,6-dimethylcyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;(5,6-dimethylcyclohex-3-en-1-yl)methanol
PubChem CID164987019
Molecular FormulaC26H50O2Si
Molecular Weight422.77 g/mol
Exact Mass422.36
IUPAC Name2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;(5,6-dimethylcyclohex-3-en-1-yl)methanol
SMILESCC1C=CCC(CO)C1C.CC1C=CCC(CO[Si](C)(C)C(C)(C)C(C)C)C1C
InChIInChI=1S/C17H34OSi.C9H16O/c1-13(2)17(5,6)19(7,8)18-12-16-11-9-10-14(3)15(16)4;1-7-4-3-5-9(6-10)8(7)2/h9-10,13-16H,11-12H2,1-8H3;3-4,7-10H,5-6H2,1-2H3
InChIKeyGHPYXKMNKDDCJI-UHFFFAOYSA-N
XLogP7.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.77
LogP ≤ 57.32
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'}

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Launch Full Analysis

Related Compounds

[(1R,2R)-2-trimethylsilylcyclohex-3-en-1-yl]methanol
CID 10976178
(2-Trimethylsilylcyclohex-3-en-1-yl)methanol
CID 14961467
[(1R,2R)-2-trimethylsilyl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-3-en-1-yl]methanol
CID 14961478
(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-en-1-ol
CID 54597396
2-{(1r,2r,6s)-6-[(t-Butyldimethylsiloxy)meth-yl]-5-methylcyclohex-3-en-1-yl}ethanol
CID 129758180
t-Butyldimethyl{[(1r,2r,6r)-2-methyl-6-vinylcyclohex-3-en-1-yl]methoxy}silane
CID 129758377
[(1s,2r,5r)-5-({[t-Butyl(dimethyl)silyl]oxy}-methyl)-5-(trimethylsilyl)cyclopent-3-en-1-yl]-methanol
CID 132279897
{(1s,2r,5r)-2-[t-Butyl(dimethyl)silyloxymethyl]-5-(trimethylsilyl)cyclopent-3-en-1-yl}methanol
CID 138756386
(E,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2,4-dimethylhex-5-en-1-ol
CID 11858811
[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methanol
CID 14851370
[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methanol
CID 22854366
(4S,5S,6R,7S,8E)-6-[tert-butyl(dimethyl)silyl]oxy-9-cyclohexyl-5,7-dimethylnona-1,8-dien-4-ol
CID 24860032

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;(5,6-dimethylcyclohex-3-en-1-yl)methanol?
The IUPAC name of 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;(5,6-dimethylcyclohex-3-en-1-yl)methanol (CID 164987019) is 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;(5,6-dimethylcyclohex-3-en-1-yl)methanol.
What is the SMILES notation for 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;(5,6-dimethylcyclohex-3-en-1-yl)methanol?
The canonical SMILES for 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;(5,6-dimethylcyclohex-3-en-1-yl)methanol is CC1C=CCC(CO)C1C.CC1C=CCC(CO[Si](C)(C)C(C)(C)C(C)C)C1C.
What is the InChIKey of 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;(5,6-dimethylcyclohex-3-en-1-yl)methanol?
The InChIKey is GHPYXKMNKDDCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34OSi.C9H16O/c1-13(2)17(5,6)19(7,8)18-12-16-11-9-10-14(3)15(16)4;1-7-4-3-5-9(6-10)8(7)2/h9-10,13-16H,11-12H2,1-8H3;3-4,7-10H,5-6H2,1-2H3.
What are the key properties of 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;(5,6-dimethylcyclohex-3-en-1-yl)methanol?
2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;(5,6-dimethylcyclohex-3-en-1-yl)methanol has a molecular weight of 422.77 g/mol, XLogP of 7.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;(5,6-dimethylcyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 164987019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).