11-tri(propan-2-yl)silylundec-10-ynyl acetate

C22H42O2Si — CID 101472039

IUPAC11-tri(propan-2-yl)silylundec-10-ynyl acetate
SMILESCC(=O)OCCCCCCCCCC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H42O2Si/c1-19(2)25(20(3)4,21(5)6)18-16-14-12-10-8-9-11-13-15-17-24-22(7)23/h19-21H,8-15,17H2,1-7H3
InChIKeyWOANCOUYRZGBHE-UHFFFAOYSA-N
MW366.66 g/mol
LogP6.89
Rot. Bonds12

About 11-tri(propan-2-yl)silylundec-10-ynyl acetate

11-tri(propan-2-yl)silylundec-10-ynyl acetate (PubChem CID 101472039) has the molecular formula C22H42O2Si and a molecular weight of 366.66 g/mol. Its IUPAC name is 11-tri(propan-2-yl)silylundec-10-ynyl acetate.

Molecular Properties

Compound Name11-tri(propan-2-yl)silylundec-10-ynyl acetate
PubChem CID101472039
Molecular FormulaC22H42O2Si
Molecular Weight366.66 g/mol
Exact Mass366.30
IUPAC Name11-tri(propan-2-yl)silylundec-10-ynyl acetate
SMILESCC(=O)OCCCCCCCCCC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H42O2Si/c1-19(2)25(20(3)4,21(5)6)18-16-14-12-10-8-9-11-13-15-17-24-22(7)23/h19-21H,8-15,17H2,1-7H3
InChIKeyWOANCOUYRZGBHE-UHFFFAOYSA-N
XLogP6.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.66
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dodec-10-ynyl acetate
CID 13135130
12-chlorododec-7-ynyl acetate
CID 134994836
11-acetyloxyundecyl acetate
CID 87784419
6-bromohex-5-ynyl acetate
CID 122444805
dodec-10-en-8-ynyl acetate
CID 154077171
pentadec-13-en-11-ynyl acetate
CID 154077168
6-methylheptyl acetate
CID 175958030
hexadec-13-en-11-ynyl acetate
CID 73165417
3-(5-acetyloxypentoxy)-2-methyl-3-oxopropanoic acid
CID 88834579
[(8S)-8-methyldecyl] acetate
CID 139653084
[(14R)-14-methylhexadecyl] acetate
CID 102479954
7-cyanohept-3-ynyl acetate
CID 102340058

Frequently Asked Questions

What is the IUPAC name of 11-tri(propan-2-yl)silylundec-10-ynyl acetate?
The IUPAC name of 11-tri(propan-2-yl)silylundec-10-ynyl acetate (CID 101472039) is 11-tri(propan-2-yl)silylundec-10-ynyl acetate.
What is the SMILES notation for 11-tri(propan-2-yl)silylundec-10-ynyl acetate?
The canonical SMILES for 11-tri(propan-2-yl)silylundec-10-ynyl acetate is CC(=O)OCCCCCCCCCC#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 11-tri(propan-2-yl)silylundec-10-ynyl acetate?
The InChIKey is WOANCOUYRZGBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2Si/c1-19(2)25(20(3)4,21(5)6)18-16-14-12-10-8-9-11-13-15-17-24-22(7)23/h19-21H,8-15,17H2,1-7H3.
What are the key properties of 11-tri(propan-2-yl)silylundec-10-ynyl acetate?
11-tri(propan-2-yl)silylundec-10-ynyl acetate has a molecular weight of 366.66 g/mol, XLogP of 6.89, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tri(propan-2-yl)silylundec-10-ynyl acetate is sourced from PubChem (CID 101472039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).