(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol

C17H34O2Si — CID 11381004

IUPAC(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol
SMILESC/C=C\[C@H](C)/C=C(\C)C(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-9-10-14(2)13-15(3)16(18)11-12-19-20(7,8)17(4,5)6/h9-10,13-14,16,18H,11-12H2,1-8H3/b10-9-,15-13+/t14-,16?/m0/s1
InChIKeyBHNURPZVVOFRBP-PYQYPMBGSA-N
MW298.54 g/mol
LogP4.92
Rot. Bonds7

About (4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol

(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol (PubChem CID 11381004) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol.

Molecular Properties

Compound Name(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol
PubChem CID11381004
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol
SMILESC/C=C\[C@H](C)/C=C(\C)C(O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-9-10-14(2)13-15(3)16(18)11-12-19-20(7,8)17(4,5)6/h9-10,13-14,16,18H,11-12H2,1-8H3/b10-9-,15-13+/t14-,16?/m0/s1
InChIKeyBHNURPZVVOFRBP-PYQYPMBGSA-N
XLogP4.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.92
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 (4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol?
The IUPAC name of (4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol (CID 11381004) is (4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol.
What is the SMILES notation for (4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol?
The canonical SMILES for (4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol is C/C=C\[C@H](C)/C=C(\C)C(O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol?
The InChIKey is BHNURPZVVOFRBP-PYQYPMBGSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-9-10-14(2)13-15(3)16(18)11-12-19-20(7,8)17(4,5)6/h9-10,13-14,16,18H,11-12H2,1-8H3/b10-9-,15-13+/t14-,16?/m0/s1.
What are the key properties of (4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol?
(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol has a molecular weight of 298.54 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol is sourced from PubChem (CID 11381004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).