(2E,4S)-4,8-dimethyl-1-trimethylsilylnona-2,7-dien-4-ol

C14H28OSi — CID 11021034

IUPAC(2E,4S)-4,8-dimethyl-1-trimethylsilylnona-2,7-dien-4-ol
SMILESCC(C)=CCC[C@](C)(O)/C=C/C[Si](C)(C)C
InChIInChI=1S/C14H28OSi/c1-13(2)9-7-10-14(3,15)11-8-12-16(4,5)6/h8-9,11,15H,7,10,12H2,1-6H3/b11-8+/t14-/m0/s1
InChIKeySXRRBXWTKSLHIL-ZHZWZMEUSA-N
MW240.46 g/mol
LogP4.38
Rot. Bonds6

About (2E,4S)-4,8-dimethyl-1-trimethylsilylnona-2,7-dien-4-ol

(2E,4S)-4,8-dimethyl-1-trimethylsilylnona-2,7-dien-4-ol (PubChem CID 11021034) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is (2E,4S)-4,8-dimethyl-1-trimethylsilylnona-2,7-dien-4-ol.

Molecular Properties

Compound Name(2E,4S)-4,8-dimethyl-1-trimethylsilylnona-2,7-dien-4-ol
PubChem CID11021034
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name(2E,4S)-4,8-dimethyl-1-trimethylsilylnona-2,7-dien-4-ol
SMILESCC(C)=CCC[C@](C)(O)/C=C/C[Si](C)(C)C
InChIInChI=1S/C14H28OSi/c1-13(2)9-7-10-14(3,15)11-8-12-16(4,5)6/h8-9,11,15H,7,10,12H2,1-6H3/b11-8+/t14-/m0/s1
InChIKeySXRRBXWTKSLHIL-ZHZWZMEUSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-4,8-dimethyl-1-trimethylsilylnona-2,7-dien-4-ol?
The IUPAC name of (2E,4S)-4,8-dimethyl-1-trimethylsilylnona-2,7-dien-4-ol (CID 11021034) is (2E,4S)-4,8-dimethyl-1-trimethylsilylnona-2,7-dien-4-ol.
What is the SMILES notation for (2E,4S)-4,8-dimethyl-1-trimethylsilylnona-2,7-dien-4-ol?
The canonical SMILES for (2E,4S)-4,8-dimethyl-1-trimethylsilylnona-2,7-dien-4-ol is CC(C)=CCC[C@](C)(O)/C=C/C[Si](C)(C)C.
What is the InChIKey of (2E,4S)-4,8-dimethyl-1-trimethylsilylnona-2,7-dien-4-ol?
The InChIKey is SXRRBXWTKSLHIL-ZHZWZMEUSA-N. The full InChI is InChI=1S/C14H28OSi/c1-13(2)9-7-10-14(3,15)11-8-12-16(4,5)6/h8-9,11,15H,7,10,12H2,1-6H3/b11-8+/t14-/m0/s1.
What are the key properties of (2E,4S)-4,8-dimethyl-1-trimethylsilylnona-2,7-dien-4-ol?
(2E,4S)-4,8-dimethyl-1-trimethylsilylnona-2,7-dien-4-ol has a molecular weight of 240.46 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S)-4,8-dimethyl-1-trimethylsilylnona-2,7-dien-4-ol is sourced from PubChem (CID 11021034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).