(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethylhepta-3,4-dien-2-ol

C16H32O2Si — CID 102376965

IUPAC(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethylhepta-3,4-dien-2-ol
SMILESCC(=C=CC(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-13(10-11-15(2,3)4)14(17)12-18-19(8,9)16(5,6)7/h11,14,17H,12H2,1-9H3/t10?,14-/m1/s1
InChIKeySBVZSFGBSWOJCA-LNUXAPHWSA-N
MW284.52 g/mol
LogP4.52
Rot. Bonds4

About (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethylhepta-3,4-dien-2-ol

(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethylhepta-3,4-dien-2-ol (PubChem CID 102376965) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethylhepta-3,4-dien-2-ol.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethylhepta-3,4-dien-2-ol
PubChem CID102376965
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethylhepta-3,4-dien-2-ol
SMILESCC(=C=CC(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-13(10-11-15(2,3)4)14(17)12-18-19(8,9)16(5,6)7/h11,14,17H,12H2,1-9H3/t10?,14-/m1/s1
InChIKeySBVZSFGBSWOJCA-LNUXAPHWSA-N
XLogP4.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethylhepta-3,4-dien-2-ol?
The IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethylhepta-3,4-dien-2-ol (CID 102376965) is (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethylhepta-3,4-dien-2-ol.
What is the SMILES notation for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethylhepta-3,4-dien-2-ol?
The canonical SMILES for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethylhepta-3,4-dien-2-ol is CC(=C=CC(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethylhepta-3,4-dien-2-ol?
The InChIKey is SBVZSFGBSWOJCA-LNUXAPHWSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-13(10-11-15(2,3)4)14(17)12-18-19(8,9)16(5,6)7/h11,14,17H,12H2,1-9H3/t10?,14-/m1/s1.
What are the key properties of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethylhepta-3,4-dien-2-ol?
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethylhepta-3,4-dien-2-ol has a molecular weight of 284.52 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethylhepta-3,4-dien-2-ol is sourced from PubChem (CID 102376965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).