(2R,3S,5Z)-6,10-dimethyl-3-(2-trimethylsilylethoxy)undeca-5,10-dien-2-ol

C18H36O2Si — CID 11266970

IUPAC(2R,3S,5Z)-6,10-dimethyl-3-(2-trimethylsilylethoxy)undeca-5,10-dien-2-ol
SMILESC=C(C)CCC/C(C)=C\C[C@H](OCC[Si](C)(C)C)[C@@H](C)O
InChIInChI=1S/C18H36O2Si/c1-15(2)9-8-10-16(3)11-12-18(17(4)19)20-13-14-21(5,6)7/h11,17-19H,1,8-10,12-14H2,2-7H3/b16-11-/t17-,18+/m1/s1
InChIKeyVIIUURSYXYJIGP-NPLYADSLSA-N
MW312.57 g/mol
LogP5.17
Rot. Bonds11

About (2R,3S,5Z)-6,10-dimethyl-3-(2-trimethylsilylethoxy)undeca-5,10-dien-2-ol

(2R,3S,5Z)-6,10-dimethyl-3-(2-trimethylsilylethoxy)undeca-5,10-dien-2-ol (PubChem CID 11266970) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (2R,3S,5Z)-6,10-dimethyl-3-(2-trimethylsilylethoxy)undeca-5,10-dien-2-ol.

Molecular Properties

Compound Name(2R,3S,5Z)-6,10-dimethyl-3-(2-trimethylsilylethoxy)undeca-5,10-dien-2-ol
PubChem CID11266970
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name(2R,3S,5Z)-6,10-dimethyl-3-(2-trimethylsilylethoxy)undeca-5,10-dien-2-ol
SMILESC=C(C)CCC/C(C)=C\C[C@H](OCC[Si](C)(C)C)[C@@H](C)O
InChIInChI=1S/C18H36O2Si/c1-15(2)9-8-10-16(3)11-12-18(17(4)19)20-13-14-21(5,6)7/h11,17-19H,1,8-10,12-14H2,2-7H3/b16-11-/t17-,18+/m1/s1
InChIKeyVIIUURSYXYJIGP-NPLYADSLSA-N
XLogP5.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.17
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 (2R,3S,5Z)-6,10-dimethyl-3-(2-trimethylsilylethoxy)undeca-5,10-dien-2-ol?
The IUPAC name of (2R,3S,5Z)-6,10-dimethyl-3-(2-trimethylsilylethoxy)undeca-5,10-dien-2-ol (CID 11266970) is (2R,3S,5Z)-6,10-dimethyl-3-(2-trimethylsilylethoxy)undeca-5,10-dien-2-ol.
What is the SMILES notation for (2R,3S,5Z)-6,10-dimethyl-3-(2-trimethylsilylethoxy)undeca-5,10-dien-2-ol?
The canonical SMILES for (2R,3S,5Z)-6,10-dimethyl-3-(2-trimethylsilylethoxy)undeca-5,10-dien-2-ol is C=C(C)CCC/C(C)=C\C[C@H](OCC[Si](C)(C)C)[C@@H](C)O.
What is the InChIKey of (2R,3S,5Z)-6,10-dimethyl-3-(2-trimethylsilylethoxy)undeca-5,10-dien-2-ol?
The InChIKey is VIIUURSYXYJIGP-NPLYADSLSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-15(2)9-8-10-16(3)11-12-18(17(4)19)20-13-14-21(5,6)7/h11,17-19H,1,8-10,12-14H2,2-7H3/b16-11-/t17-,18+/m1/s1.
What are the key properties of (2R,3S,5Z)-6,10-dimethyl-3-(2-trimethylsilylethoxy)undeca-5,10-dien-2-ol?
(2R,3S,5Z)-6,10-dimethyl-3-(2-trimethylsilylethoxy)undeca-5,10-dien-2-ol has a molecular weight of 312.57 g/mol, XLogP of 5.17, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5Z)-6,10-dimethyl-3-(2-trimethylsilylethoxy)undeca-5,10-dien-2-ol is sourced from PubChem (CID 11266970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).