(2E,4S,5R,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-ol

C17H32O2Si — CID 10379840

IUPAC(2E,4S,5R,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-ol
SMILESC=CC/C(=C\[Si](C)(C)C)[C@@H](OC(C)(C)C)[C@@H](O)/C=C/C
InChIInChI=1S/C17H32O2Si/c1-9-11-14(13-20(6,7)8)16(15(18)12-10-2)19-17(3,4)5/h9-10,12-13,15-16,18H,1,11H2,2-8H3/b12-10+,14-13+/t15-,16+/m0/s1
InChIKeyVTNHYYHCEDEYLC-CAWZZXEKSA-N
MW296.53 g/mol
LogP4.49
Rot. Bonds7

About (2E,4S,5R,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-ol

(2E,4S,5R,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-ol (PubChem CID 10379840) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (2E,4S,5R,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-ol.

Molecular Properties

Compound Name(2E,4S,5R,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-ol
PubChem CID10379840
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(2E,4S,5R,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-ol
SMILESC=CC/C(=C\[Si](C)(C)C)[C@@H](OC(C)(C)C)[C@@H](O)/C=C/C
InChIInChI=1S/C17H32O2Si/c1-9-11-14(13-20(6,7)8)16(15(18)12-10-2)19-17(3,4)5/h9-10,12-13,15-16,18H,1,11H2,2-8H3/b12-10+,14-13+/t15-,16+/m0/s1
InChIKeyVTNHYYHCEDEYLC-CAWZZXEKSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.49
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 (2E,4S,5R,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-ol?
The IUPAC name of (2E,4S,5R,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-ol (CID 10379840) is (2E,4S,5R,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-ol.
What is the SMILES notation for (2E,4S,5R,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-ol?
The canonical SMILES for (2E,4S,5R,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-ol is C=CC/C(=C\[Si](C)(C)C)[C@@H](OC(C)(C)C)[C@@H](O)/C=C/C.
What is the InChIKey of (2E,4S,5R,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-ol?
The InChIKey is VTNHYYHCEDEYLC-CAWZZXEKSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-9-11-14(13-20(6,7)8)16(15(18)12-10-2)19-17(3,4)5/h9-10,12-13,15-16,18H,1,11H2,2-8H3/b12-10+,14-13+/t15-,16+/m0/s1.
What are the key properties of (2E,4S,5R,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-ol?
(2E,4S,5R,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-ol has a molecular weight of 296.53 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S,5R,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-ol is sourced from PubChem (CID 10379840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).