(3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-methyl-5-methylideneheptan-3-ol

C21H42O2Si — CID 10594312

IUPAC(3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-methyl-5-methylideneheptan-3-ol
SMILESC=C(C[C@@H](O)C(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C21H42O2Si/c1-16(2)20(22)14-17(3)19(18-12-10-9-11-13-18)15-23-24(7,8)21(4,5)6/h16,18-20,22H,3,9-15H2,1-2,4-8H3/t19-,20-/m1/s1
InChIKeyDVOXPESUKARCHU-WOJBJXKFSA-N
MW354.65 g/mol
LogP6.17
Rot. Bonds8

About (3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-methyl-5-methylideneheptan-3-ol

(3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-methyl-5-methylideneheptan-3-ol (PubChem CID 10594312) has the molecular formula C21H42O2Si and a molecular weight of 354.65 g/mol. Its IUPAC name is (3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-methyl-5-methylideneheptan-3-ol.

Molecular Properties

Compound Name(3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-methyl-5-methylideneheptan-3-ol
PubChem CID10594312
Molecular FormulaC21H42O2Si
Molecular Weight354.65 g/mol
Exact Mass354.30
IUPAC Name(3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-methyl-5-methylideneheptan-3-ol
SMILESC=C(C[C@@H](O)C(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C21H42O2Si/c1-16(2)20(22)14-17(3)19(18-12-10-9-11-13-18)15-23-24(7,8)21(4,5)6/h16,18-20,22H,3,9-15H2,1-2,4-8H3/t19-,20-/m1/s1
InChIKeyDVOXPESUKARCHU-WOJBJXKFSA-N
XLogP6.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.65
LogP ≤ 56.17
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'}

Analyze (3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-methyl-5-methylideneheptan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol
CID 11291668
Buzhysxwcxkzpr-cabcvrresa-
CID 14563305
1-[4-[Tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-1-ol
CID 11702539
(3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol
CID 24767663
1-[(1R,2S,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]propan-2-ol
CID 25053674
(E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol
CID 101097233
1,2-Dicyclohexyl-3-triethylsilylbut-3-en-1-ol
CID 101899065
(1S,2E,3R)-1-cyclohexyl-4-methyl-2-(trimethylsilylmethylidene)pentane-1,3-diol
CID 102172214
4-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-ol
CID 134835026
7-[Tert-butyl(dimethyl)silyl]oxy-3-ethyl-5-methylideneheptan-3-ol
CID 134857930
(3R,4R,5R,6R,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethylundec-1-ene-4,6-diol
CID 134941583
(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol
CID 135026330

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-methyl-5-methylideneheptan-3-ol?
The IUPAC name of (3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-methyl-5-methylideneheptan-3-ol (CID 10594312) is (3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-methyl-5-methylideneheptan-3-ol.
What is the SMILES notation for (3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-methyl-5-methylideneheptan-3-ol?
The canonical SMILES for (3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-methyl-5-methylideneheptan-3-ol is C=C(C[C@@H](O)C(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of (3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-methyl-5-methylideneheptan-3-ol?
The InChIKey is DVOXPESUKARCHU-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H42O2Si/c1-16(2)20(22)14-17(3)19(18-12-10-9-11-13-18)15-23-24(7,8)21(4,5)6/h16,18-20,22H,3,9-15H2,1-2,4-8H3/t19-,20-/m1/s1.
What are the key properties of (3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-methyl-5-methylideneheptan-3-ol?
(3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-methyl-5-methylideneheptan-3-ol has a molecular weight of 354.65 g/mol, XLogP of 6.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-cyclohexyl-2-methyl-5-methylideneheptan-3-ol is sourced from PubChem (CID 10594312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).