(3R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodec-10-en-4-ol

C21H44O2Si — CID 23727931

IUPAC(3R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodec-10-en-4-ol
SMILESCC(C)=CCC[C@@H](C)CCC(O)[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O2Si/c1-17(2)11-10-12-18(3)13-14-20(22)19(4)15-16-23-24(8,9)21(5,6)7/h11,18-20,22H,10,12-16H2,1-9H3/t18-,19-,20?/m1/s1
InChIKeyXQEZGIZJZUCNII-LEAGNCFPSA-N
MW356.67 g/mol
LogP6.56
Rot. Bonds11

About (3R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodec-10-en-4-ol

(3R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodec-10-en-4-ol (PubChem CID 23727931) has the molecular formula C21H44O2Si and a molecular weight of 356.67 g/mol. Its IUPAC name is (3R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodec-10-en-4-ol.

Molecular Properties

Compound Name(3R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodec-10-en-4-ol
PubChem CID23727931
Molecular FormulaC21H44O2Si
Molecular Weight356.67 g/mol
Exact Mass356.31
IUPAC Name(3R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodec-10-en-4-ol
SMILESCC(C)=CCC[C@@H](C)CCC(O)[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O2Si/c1-17(2)11-10-12-18(3)13-14-20(22)19(4)15-16-23-24(8,9)21(5,6)7/h11,18-20,22H,10,12-16H2,1-9H3/t18-,19-,20?/m1/s1
InChIKeyXQEZGIZJZUCNII-LEAGNCFPSA-N
XLogP6.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 56.56
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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Related Compounds

(1S,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 12034957
3-[3-[Tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooctyl]-2-prop-2-enylcyclopent-3-en-1-ol
CID 70389593
2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 10880626
trans-(1R,2R)-2-[5-cyclohexa-1,4-dien-1-yl-2-tri(propan-2-yl)silyloxypentyl]-1-methylcyclopropan-1-ol
CID 10971240
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 11077915
3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol
CID 11122130
(1S,2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 11301047
(5S,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-ol
CID 11416545
(1E,3E,5R,6S,7R,8R,9S,11E)-8-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3,5,7,9,11-pentamethyltrideca-1,3,11-trien-6-ol
CID 24740596
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
CID 24755010
(3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol
CID 24767663

Frequently Asked Questions

What is the IUPAC name of (3R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodec-10-en-4-ol?
The IUPAC name of (3R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodec-10-en-4-ol (CID 23727931) is (3R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodec-10-en-4-ol.
What is the SMILES notation for (3R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodec-10-en-4-ol?
The canonical SMILES for (3R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodec-10-en-4-ol is CC(C)=CCC[C@@H](C)CCC(O)[C@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodec-10-en-4-ol?
The InChIKey is XQEZGIZJZUCNII-LEAGNCFPSA-N. The full InChI is InChI=1S/C21H44O2Si/c1-17(2)11-10-12-18(3)13-14-20(22)19(4)15-16-23-24(8,9)21(5,6)7/h11,18-20,22H,10,12-16H2,1-9H3/t18-,19-,20?/m1/s1.
What are the key properties of (3R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodec-10-en-4-ol?
(3R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodec-10-en-4-ol has a molecular weight of 356.67 g/mol, XLogP of 6.56, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodec-10-en-4-ol is sourced from PubChem (CID 23727931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).