(2E,5E,7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol

C18H36O2Si — CID 86618041

IUPAC(2E,5E,7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol
SMILESCC[C@H](O[Si](CC)(CC)CC)[C@@H](C)/C=C/C/C(C)=C/CO
InChIInChI=1S/C18H36O2Si/c1-7-18(20-21(8-2,9-3)10-4)17(6)13-11-12-16(5)14-15-19/h11,13-14,17-19H,7-10,12,15H2,1-6H3/b13-11+,16-14+/t17-,18-/m0/s1
InChIKeySQGILTUNWCWIRB-ZTDHBFLZSA-N
MW312.57 g/mol
LogP5.31
Rot. Bonds11

About (2E,5E,7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol

(2E,5E,7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol (PubChem CID 86618041) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (2E,5E,7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol.

Molecular Properties

Compound Name(2E,5E,7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol
PubChem CID86618041
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name(2E,5E,7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol
SMILESCC[C@H](O[Si](CC)(CC)CC)[C@@H](C)/C=C/C/C(C)=C/CO
InChIInChI=1S/C18H36O2Si/c1-7-18(20-21(8-2,9-3)10-4)17(6)13-11-12-16(5)14-15-19/h11,13-14,17-19H,7-10,12,15H2,1-6H3/b13-11+,16-14+/t17-,18-/m0/s1
InChIKeySQGILTUNWCWIRB-ZTDHBFLZSA-N
XLogP5.31
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 ≤ 55.31
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,5E,7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol?
The IUPAC name of (2E,5E,7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol (CID 86618041) is (2E,5E,7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol.
What is the SMILES notation for (2E,5E,7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol?
The canonical SMILES for (2E,5E,7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol is CC[C@H](O[Si](CC)(CC)CC)[C@@H](C)/C=C/C/C(C)=C/CO.
What is the InChIKey of (2E,5E,7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol?
The InChIKey is SQGILTUNWCWIRB-ZTDHBFLZSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-7-18(20-21(8-2,9-3)10-4)17(6)13-11-12-16(5)14-15-19/h11,13-14,17-19H,7-10,12,15H2,1-6H3/b13-11+,16-14+/t17-,18-/m0/s1.
What are the key properties of (2E,5E,7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol?
(2E,5E,7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol has a molecular weight of 312.57 g/mol, XLogP of 5.31, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E,7S,8S)-3,7-dimethyl-8-triethylsilyloxydeca-2,5-dien-1-ol is sourced from PubChem (CID 86618041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).