2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3,4-dimethylcyclohexane-1,2-diol

C34H70O4Si2 — CID 165010108

IUPAC2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3,4-dimethylcyclohexane-1,2-diol
SMILESCC1C(CO[Si](C)(C)C(C)(C)C(C)C)CC(O)C(O)C1C.CC1C=CCC(CO[Si](C)(C)C(C)(C)C(C)C)C1C
InChIInChI=1S/C17H36O3Si.C17H34OSi/c1-11(2)17(5,6)21(7,8)20-10-14-9-15(18)16(19)13(4)12(14)3;1-13(2)17(5,6)19(7,8)18-12-16-11-9-10-14(3)15(16)4/h11-16,18-19H,9-10H2,1-8H3;9-10,13-16H,11-12H2,1-8H3
InChIKeyJOMVEJIHTDQRIY-UHFFFAOYSA-N
MW599.10 g/mol
LogP9.15
Rot. Bonds10

About 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3,4-dimethylcyclohexane-1,2-diol

2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3,4-dimethylcyclohexane-1,2-diol (PubChem CID 165010108) has the molecular formula C34H70O4Si2 and a molecular weight of 599.10 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3,4-dimethylcyclohexane-1,2-diol.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3,4-dimethylcyclohexane-1,2-diol
PubChem CID165010108
Molecular FormulaC34H70O4Si2
Molecular Weight599.10 g/mol
Exact Mass598.48
IUPAC Name2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3,4-dimethylcyclohexane-1,2-diol
SMILESCC1C(CO[Si](C)(C)C(C)(C)C(C)C)CC(O)C(O)C1C.CC1C=CCC(CO[Si](C)(C)C(C)(C)C(C)C)C1C
InChIInChI=1S/C17H36O3Si.C17H34OSi/c1-11(2)17(5,6)21(7,8)20-10-14-9-15(18)16(19)13(4)12(14)3;1-13(2)17(5,6)19(7,8)18-12-16-11-9-10-14(3)15(16)4/h11-16,18-19H,9-10H2,1-8H3;9-10,13-16H,11-12H2,1-8H3
InChIKeyJOMVEJIHTDQRIY-UHFFFAOYSA-N
XLogP9.15
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.10
LogP ≤ 59.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3,4-dimethylcyclohexane-1,2-diol with MolForge

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Related Compounds

[(1S,2S,4aR,6R,7S,8S,8aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol
CID 71545848
[(1R,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol
CID 10405780
1-Hydroxymethyl-8-(triisopropylsilyl)oxy-2-methyl-1beta-2alpha-(4A)beta,5,6,7,8beta,(8A)beta-octahydronaphthalene
CID 102064412
(1R,2S,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-[(E)-6-methylhept-2-en-2-yl]cyclohexan-1-ol
CID 11303667
(1S,3S,4aR,7S,8S,8aS)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-3-prop-1-enyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol
CID 57079267
[(1S,4aR,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-prop-1-enyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol
CID 57098526
(4R,7aR)-5-[(1S,2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-methylcyclohexyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 70643550
(1R,3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-ol
CID 71177684
(1R,2S,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-3-(6-methylhept-2-en-2-yl)cyclohexan-1-ol
CID 91498131
(1S,3S,4aR,7S,8S,8aS)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-3-[(E)-prop-1-enyl]-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol
CID 149874552
[(1S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol
CID 10064010
[(1S,2S,6S,8S)-8-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-propan-2-yl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol
CID 10338119

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3,4-dimethylcyclohexane-1,2-diol?
The IUPAC name of 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3,4-dimethylcyclohexane-1,2-diol (CID 165010108) is 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3,4-dimethylcyclohexane-1,2-diol.
What is the SMILES notation for 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3,4-dimethylcyclohexane-1,2-diol?
The canonical SMILES for 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3,4-dimethylcyclohexane-1,2-diol is CC1C(CO[Si](C)(C)C(C)(C)C(C)C)CC(O)C(O)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-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3,4-dimethylcyclohexane-1,2-diol?
The InChIKey is JOMVEJIHTDQRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3Si.C17H34OSi/c1-11(2)17(5,6)21(7,8)20-10-14-9-15(18)16(19)13(4)12(14)3;1-13(2)17(5,6)19(7,8)18-12-16-11-9-10-14(3)15(16)4/h11-16,18-19H,9-10H2,1-8H3;9-10,13-16H,11-12H2,1-8H3.
What are the key properties of 2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3,4-dimethylcyclohexane-1,2-diol?
2,3-dimethylbutan-2-yl-[(5,6-dimethylcyclohex-3-en-1-yl)methoxy]-dimethylsilane;5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3,4-dimethylcyclohexane-1,2-diol has a molecular weight of 599.10 g/mol, XLogP of 9.15, 10 rotatable bonds, 2 hydrogen bond donors, and 4 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-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3,4-dimethylcyclohexane-1,2-diol is sourced from PubChem (CID 165010108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).