(Z)-9-(acetyloxymethyl)-10-trimethylsilyldec-8-enoic acid

C16H30O4Si — CID 177438122

IUPAC(Z)-9-(acetyloxymethyl)-10-trimethylsilyldec-8-enoic acid
SMILESCC(=O)OC/C(=C/CCCCCCC(=O)O)C[Si](C)(C)C
InChIInChI=1S/C16H30O4Si/c1-14(17)20-12-15(13-21(2,3)4)10-8-6-5-7-9-11-16(18)19/h10H,5-9,11-13H2,1-4H3,(H,18,19)/b15-10-
InChIKeyKTJJHUIZDDVQON-GDNBJRDFSA-N
MW314.50 g/mol
LogP4.24
Rot. Bonds11

About (Z)-9-(acetyloxymethyl)-10-trimethylsilyldec-8-enoic acid

(Z)-9-(acetyloxymethyl)-10-trimethylsilyldec-8-enoic acid (PubChem CID 177438122) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is (Z)-9-(acetyloxymethyl)-10-trimethylsilyldec-8-enoic acid.

Molecular Properties

Compound Name(Z)-9-(acetyloxymethyl)-10-trimethylsilyldec-8-enoic acid
PubChem CID177438122
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name(Z)-9-(acetyloxymethyl)-10-trimethylsilyldec-8-enoic acid
SMILESCC(=O)OC/C(=C/CCCCCCC(=O)O)C[Si](C)(C)C
InChIInChI=1S/C16H30O4Si/c1-14(17)20-12-15(13-21(2,3)4)10-8-6-5-7-9-11-16(18)19/h10H,5-9,11-13H2,1-4H3,(H,18,19)/b15-10-
InChIKeyKTJJHUIZDDVQON-GDNBJRDFSA-N
XLogP4.24
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Sebacic acid, digeranyl ester
CID 91694954
tri(propan-2-yl)silyl (E)-10-hydroxy-9-methyldec-8-enoate
CID 11089606
(z)-11-(Heptanoyloxy)undec-9-enoic acid
CID 132277899
(e)-11-(Heptanoyloxy) undec-9-enoic acid
CID 132527134
Sebacic acid, geranyl propyl ester
CID 91694933
Sebacic acid, butyl geranyl ester
CID 91694934
Sebacic acid, geranyl pentyl ester
CID 91694969
Sebacic acid, geranyl hexyl ester
CID 91694970
Sebacic acid, geranyl heptyl ester
CID 91694971
Sebacic acid, geranyl undecyl ester
CID 91694972
Sebacic acid, geranyl octyl ester
CID 91695258
Sebacic acid, geranyl nonyl ester
CID 91695259

Frequently Asked Questions

What is the IUPAC name of (Z)-9-(acetyloxymethyl)-10-trimethylsilyldec-8-enoic acid?
The IUPAC name of (Z)-9-(acetyloxymethyl)-10-trimethylsilyldec-8-enoic acid (CID 177438122) is (Z)-9-(acetyloxymethyl)-10-trimethylsilyldec-8-enoic acid.
What is the SMILES notation for (Z)-9-(acetyloxymethyl)-10-trimethylsilyldec-8-enoic acid?
The canonical SMILES for (Z)-9-(acetyloxymethyl)-10-trimethylsilyldec-8-enoic acid is CC(=O)OC/C(=C/CCCCCCC(=O)O)C[Si](C)(C)C.
What is the InChIKey of (Z)-9-(acetyloxymethyl)-10-trimethylsilyldec-8-enoic acid?
The InChIKey is KTJJHUIZDDVQON-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-14(17)20-12-15(13-21(2,3)4)10-8-6-5-7-9-11-16(18)19/h10H,5-9,11-13H2,1-4H3,(H,18,19)/b15-10-.
What are the key properties of (Z)-9-(acetyloxymethyl)-10-trimethylsilyldec-8-enoic acid?
(Z)-9-(acetyloxymethyl)-10-trimethylsilyldec-8-enoic acid has a molecular weight of 314.50 g/mol, XLogP of 4.24, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-(acetyloxymethyl)-10-trimethylsilyldec-8-enoic acid is sourced from PubChem (CID 177438122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).