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

C16H34O2Si — CID 10660908

IUPAC(3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-methylideneheptan-3-ol
SMILESC=C(C[C@@H](O)C(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-12(2)15(17)10-13(3)14(4)11-18-19(8,9)16(5,6)7/h12,14-15,17H,3,10-11H2,1-2,4-9H3/t14-,15-/m1/s1
InChIKeyOKKOIVKTQWCHCM-HUUCEWRRSA-N
MW286.53 g/mol
LogP4.61
Rot. Bonds7

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

(3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-methylideneheptan-3-ol (PubChem CID 10660908) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-methylideneheptan-3-ol.

Molecular Properties

Compound Name(3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-methylideneheptan-3-ol
PubChem CID10660908
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-methylideneheptan-3-ol
SMILESC=C(C[C@@H](O)C(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-12(2)15(17)10-13(3)14(4)11-18-19(8,9)16(5,6)7/h12,14-15,17H,3,10-11H2,1-2,4-9H3/t14-,15-/m1/s1
InChIKeyOKKOIVKTQWCHCM-HUUCEWRRSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.61
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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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-methylideneheptan-3-ol?
The IUPAC name of (3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-methylideneheptan-3-ol (CID 10660908) is (3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-methylideneheptan-3-ol.
What is the SMILES notation for (3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-methylideneheptan-3-ol?
The canonical SMILES for (3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-methylideneheptan-3-ol is C=C(C[C@@H](O)C(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-methylideneheptan-3-ol?
The InChIKey is OKKOIVKTQWCHCM-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-12(2)15(17)10-13(3)14(4)11-18-19(8,9)16(5,6)7/h12,14-15,17H,3,10-11H2,1-2,4-9H3/t14-,15-/m1/s1.
What are the key properties of (3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-methylideneheptan-3-ol?
(3R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-methylideneheptan-3-ol has a molecular weight of 286.53 g/mol, XLogP of 4.61, 7 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-2,6-dimethyl-5-methylideneheptan-3-ol is sourced from PubChem (CID 10660908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).