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

C18H36O2Si — CID 102376967

IUPAC(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-3,4-dien-2-ol
SMILESCCCCCCC=C=C(C)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-8-9-10-11-12-13-14-16(2)17(19)15-20-21(6,7)18(3,4)5/h13,17,19H,8-12,15H2,1-7H3/t14?,17-/m1/s1
InChIKeyVNAKDZYLSFVKHY-FBMWCMRBSA-N
MW312.57 g/mol
LogP5.44
Rot. Bonds9

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

(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-3,4-dien-2-ol (PubChem CID 102376967) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-3,4-dien-2-ol.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-3,4-dien-2-ol
PubChem CID102376967
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-3,4-dien-2-ol
SMILESCCCCCCC=C=C(C)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O2Si/c1-8-9-10-11-12-13-14-16(2)17(19)15-20-21(6,7)18(3,4)5/h13,17,19H,8-12,15H2,1-7H3/t14?,17-/m1/s1
InChIKeyVNAKDZYLSFVKHY-FBMWCMRBSA-N
XLogP5.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methylundeca-3,4-dien-2-ol?
The IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-3,4-dien-2-ol (CID 102376967) is (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-3,4-dien-2-ol.
What is the SMILES notation for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-3,4-dien-2-ol?
The canonical SMILES for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-3,4-dien-2-ol is CCCCCCC=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-methylundeca-3,4-dien-2-ol?
The InChIKey is VNAKDZYLSFVKHY-FBMWCMRBSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-8-9-10-11-12-13-14-16(2)17(19)15-20-21(6,7)18(3,4)5/h13,17,19H,8-12,15H2,1-7H3/t14?,17-/m1/s1.
What are the key properties of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-3,4-dien-2-ol?
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylundeca-3,4-dien-2-ol has a molecular weight of 312.57 g/mol, XLogP of 5.44, 9 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-methylundeca-3,4-dien-2-ol is sourced from PubChem (CID 102376967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).