(4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol

C20H38O2Si — CID 10903884

IUPAC(4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol
SMILESC=CC[C@H](O)CC/C(C)=C/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O2Si/c1-8-13-19(21)16-15-18(2)14-11-9-10-12-17-22-23(6,7)20(3,4)5/h8-9,11,14,19,21H,1,10,12-13,15-17H2,2-7H3/b11-9+,18-14+/t19-/m0/s1
InChIKeyQEVOUTPWJQVQIQ-ARDHWVBJSA-N
MW338.61 g/mol
LogP6.01
Rot. Bonds11

About (4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol

(4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol (PubChem CID 10903884) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is (4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol.

Molecular Properties

Compound Name(4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol
PubChem CID10903884
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name(4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol
SMILESC=CC[C@H](O)CC/C(C)=C/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O2Si/c1-8-13-19(21)16-15-18(2)14-11-9-10-12-17-22-23(6,7)20(3,4)5/h8-9,11,14,19,21H,1,10,12-13,15-17H2,2-7H3/b11-9+,18-14+/t19-/m0/s1
InChIKeyQEVOUTPWJQVQIQ-ARDHWVBJSA-N
XLogP6.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.01
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-ol
CID 102108791
tert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane
CID 10504788
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 45101596
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
tert-butyl-[(E)-hex-4-enoxy]-dimethylsilane
CID 15936622
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 11310746
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
(Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol
CID 53255144
(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol
CID 10922612
tert-butyl-[(4E,6E,8E)-deca-4,6,8-trienoxy]-dimethylsilane
CID 134860974
tert-butyl-dimethyl-octadec-17-enoxysilane
CID 24879926
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 42611333

Frequently Asked Questions

What is the IUPAC name of (4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol?
The IUPAC name of (4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol (CID 10903884) is (4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol.
What is the SMILES notation for (4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol?
The canonical SMILES for (4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol is C=CC[C@H](O)CC/C(C)=C/C=C/CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol?
The InChIKey is QEVOUTPWJQVQIQ-ARDHWVBJSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-8-13-19(21)16-15-18(2)14-11-9-10-12-17-22-23(6,7)20(3,4)5/h8-9,11,14,19,21H,1,10,12-13,15-17H2,2-7H3/b11-9+,18-14+/t19-/m0/s1.
What are the key properties of (4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol?
(4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol has a molecular weight of 338.61 g/mol, XLogP of 6.01, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7E,9E)-13-[tert-butyl(dimethyl)silyl]oxy-7-methyltrideca-1,7,9-trien-4-ol is sourced from PubChem (CID 10903884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).