[5-methyl-2-[methyl(dipropyl)silyl]hexa-2,5-dienyl] acetate

C16H30O2Si — CID 4059483

IUPAC[5-methyl-2-[methyl(dipropyl)silyl]hexa-2,5-dienyl] acetate
SMILESC=C(C)CC=C(COC(C)=O)[Si](C)(CCC)CCC
InChIInChI=1S/C16H30O2Si/c1-7-11-19(6,12-8-2)16(10-9-14(3)4)13-18-15(5)17/h10H,3,7-9,11-13H2,1-2,4-6H3
InChIKeyZCZLBKZPQXPILN-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.88
Rot. Bonds9

About [5-methyl-2-[methyl(dipropyl)silyl]hexa-2,5-dienyl] acetate

[5-methyl-2-[methyl(dipropyl)silyl]hexa-2,5-dienyl] acetate (PubChem CID 4059483) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is [5-methyl-2-[methyl(dipropyl)silyl]hexa-2,5-dienyl] acetate.

Molecular Properties

Compound Name[5-methyl-2-[methyl(dipropyl)silyl]hexa-2,5-dienyl] acetate
PubChem CID4059483
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name[5-methyl-2-[methyl(dipropyl)silyl]hexa-2,5-dienyl] acetate
SMILESC=C(C)CC=C(COC(C)=O)[Si](C)(CCC)CCC
InChIInChI=1S/C16H30O2Si/c1-7-11-19(6,12-8-2)16(10-9-14(3)4)13-18-15(5)17/h10H,3,7-9,11-13H2,1-2,4-6H3
InChIKeyZCZLBKZPQXPILN-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
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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Related Compounds

Geranyl Acetate
CID 1549026
Neryl acetate
CID 1549025
Farnesyl acetate
CID 94403
trans,trans-Farnesyl acetate
CID 638500
3,7-Dimethylocta-2,6-dienyl acetate
CID 7780
Farnesyl acetate, (2Z,6E)-
CID 1551480
3,7,11,15-Tetramethyl-2E,6E,10E,14-hexadecatetraenyl acetate
CID 5366012
2-Hexen-1-ol, 3-methyl-, 1-acetate
CID 22342475
Farnesyl acetate, (2Z,6Z)-
CID 1551479
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl propionate
CID 6431104
Farnesyl acetate, (2E,6Z)-
CID 1551481
3-Methylhex-2-en-1-yl acetate
CID 54442944

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-[methyl(dipropyl)silyl]hexa-2,5-dienyl] acetate?
The IUPAC name of [5-methyl-2-[methyl(dipropyl)silyl]hexa-2,5-dienyl] acetate (CID 4059483) is [5-methyl-2-[methyl(dipropyl)silyl]hexa-2,5-dienyl] acetate.
What is the SMILES notation for [5-methyl-2-[methyl(dipropyl)silyl]hexa-2,5-dienyl] acetate?
The canonical SMILES for [5-methyl-2-[methyl(dipropyl)silyl]hexa-2,5-dienyl] acetate is C=C(C)CC=C(COC(C)=O)[Si](C)(CCC)CCC.
What is the InChIKey of [5-methyl-2-[methyl(dipropyl)silyl]hexa-2,5-dienyl] acetate?
The InChIKey is ZCZLBKZPQXPILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-7-11-19(6,12-8-2)16(10-9-14(3)4)13-18-15(5)17/h10H,3,7-9,11-13H2,1-2,4-6H3.
What are the key properties of [5-methyl-2-[methyl(dipropyl)silyl]hexa-2,5-dienyl] acetate?
[5-methyl-2-[methyl(dipropyl)silyl]hexa-2,5-dienyl] acetate has a molecular weight of 282.50 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-[methyl(dipropyl)silyl]hexa-2,5-dienyl] acetate is sourced from PubChem (CID 4059483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).