(1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2S)-2-[(E)-prop-1-enyl]cyclopropyl]nona-1,7-dien-4-ol

C23H42O2Si — CID 158753814

IUPAC(1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2S)-2-[(E)-prop-1-enyl]cyclopropyl]nona-1,7-dien-4-ol
SMILESC/C=C/[C@@H]1C[C@@H]1/C=C\C[C@H](O)C(C)(C)[C@H](/C=C/C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O2Si/c1-10-13-18-17-19(18)15-12-16-20(24)23(6,7)21(14-11-2)25-26(8,9)22(3,4)5/h10-15,18-21,24H,16-17H2,1-9H3/b13-10+,14-11+,15-12-/t18-,19+,20+,21+/m1/s1
InChIKeyINUSGXOBXATLSN-KHKRUFSTSA-N
MW378.67 g/mol
LogP6.50
Rot. Bonds9

About (1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2S)-2-[(E)-prop-1-enyl]cyclopropyl]nona-1,7-dien-4-ol

(1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2S)-2-[(E)-prop-1-enyl]cyclopropyl]nona-1,7-dien-4-ol (PubChem CID 158753814) has the molecular formula C23H42O2Si and a molecular weight of 378.67 g/mol. Its IUPAC name is (1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2S)-2-[(E)-prop-1-enyl]cyclopropyl]nona-1,7-dien-4-ol.

Molecular Properties

Compound Name(1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2S)-2-[(E)-prop-1-enyl]cyclopropyl]nona-1,7-dien-4-ol
PubChem CID158753814
Molecular FormulaC23H42O2Si
Molecular Weight378.67 g/mol
Exact Mass378.30
IUPAC Name(1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2S)-2-[(E)-prop-1-enyl]cyclopropyl]nona-1,7-dien-4-ol
SMILESC/C=C/[C@@H]1C[C@@H]1/C=C\C[C@H](O)C(C)(C)[C@H](/C=C/C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O2Si/c1-10-13-18-17-19(18)15-12-16-20(24)23(6,7)21(14-11-2)25-26(8,9)22(3,4)5/h10-15,18-21,24H,16-17H2,1-9H3/b13-10+,14-11+,15-12-/t18-,19+,20+,21+/m1/s1
InChIKeyINUSGXOBXATLSN-KHKRUFSTSA-N
XLogP6.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.67
LogP ≤ 56.50
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'}

Analyze (1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2S)-2-[(E)-prop-1-enyl]cyclopropyl]nona-1,7-dien-4-ol with MolForge

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Related Compounds

(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10682670
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol
CID 11580263
(Z,3S,5S,8R)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10706388
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(E,3R)-5,5-dimethyl-1-[(1R,2R)-2-methyl-1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]hept-1-en-6-yn-3-ol
CID 23643473
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol
CID 101897818
(E,2R,3R)-2,4,6,6-tetramethyl-1-triethylsilyloxyhept-4-en-3-ol
CID 102289950
(E)-5,5-dimethyl-1-[(1R,2R)-2-methyl-1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]hept-1-en-6-yn-3-ol
CID 134840190
(E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol
CID 134863671
trans-(1R,2S)-1-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]cyclopropan-1-ol
CID 134930587
tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
CID 134951609

Frequently Asked Questions

What is the IUPAC name of (1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2S)-2-[(E)-prop-1-enyl]cyclopropyl]nona-1,7-dien-4-ol?
The IUPAC name of (1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2S)-2-[(E)-prop-1-enyl]cyclopropyl]nona-1,7-dien-4-ol (CID 158753814) is (1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2S)-2-[(E)-prop-1-enyl]cyclopropyl]nona-1,7-dien-4-ol.
What is the SMILES notation for (1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2S)-2-[(E)-prop-1-enyl]cyclopropyl]nona-1,7-dien-4-ol?
The canonical SMILES for (1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2S)-2-[(E)-prop-1-enyl]cyclopropyl]nona-1,7-dien-4-ol is C/C=C/[C@@H]1C[C@@H]1/C=C\C[C@H](O)C(C)(C)[C@H](/C=C/C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2S)-2-[(E)-prop-1-enyl]cyclopropyl]nona-1,7-dien-4-ol?
The InChIKey is INUSGXOBXATLSN-KHKRUFSTSA-N. The full InChI is InChI=1S/C23H42O2Si/c1-10-13-18-17-19(18)15-12-16-20(24)23(6,7)21(14-11-2)25-26(8,9)22(3,4)5/h10-15,18-21,24H,16-17H2,1-9H3/b13-10+,14-11+,15-12-/t18-,19+,20+,21+/m1/s1.
What are the key properties of (1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2S)-2-[(E)-prop-1-enyl]cyclopropyl]nona-1,7-dien-4-ol?
(1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2S)-2-[(E)-prop-1-enyl]cyclopropyl]nona-1,7-dien-4-ol has a molecular weight of 378.67 g/mol, XLogP of 6.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1-[(1R,2S)-2-[(E)-prop-1-enyl]cyclopropyl]nona-1,7-dien-4-ol is sourced from PubChem (CID 158753814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).