15-prop-1-en-2-yl-3-trimethylsilyl-oxacyclopentadecan-2-one

C20H38O2Si — CID 552374

IUPAC15-prop-1-en-2-yl-3-trimethylsilyl-oxacyclopentadecan-2-one
SMILESC=C(C)C1CCCCCCCCCCCC([Si](C)(C)C)C(=O)O1
InChIInChI=1S/C20H38O2Si/c1-17(2)18-15-13-11-9-7-6-8-10-12-14-16-19(20(21)22-18)23(3,4)5/h18-19H,1,6-16H2,2-5H3
InChIKeyMGQDGDXNLWLHGI-UHFFFAOYSA-N
MW338.61 g/mol
LogP6.49
Rot. Bonds2

About 15-prop-1-en-2-yl-3-trimethylsilyl-oxacyclopentadecan-2-one

15-prop-1-en-2-yl-3-trimethylsilyl-oxacyclopentadecan-2-one (PubChem CID 552374) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is 15-prop-1-en-2-yl-3-trimethylsilyl-oxacyclopentadecan-2-one.

Molecular Properties

Compound Name15-prop-1-en-2-yl-3-trimethylsilyl-oxacyclopentadecan-2-one
PubChem CID552374
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name15-prop-1-en-2-yl-3-trimethylsilyl-oxacyclopentadecan-2-one
SMILESC=C(C)C1CCCCCCCCCCCC([Si](C)(C)C)C(=O)O1
InChIInChI=1S/C20H38O2Si/c1-17(2)18-15-13-11-9-7-6-8-10-12-14-16-19(20(21)22-18)23(3,4)5/h18-19H,1,6-16H2,2-5H3
InChIKeyMGQDGDXNLWLHGI-UHFFFAOYSA-N
XLogP6.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.49
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

ethyl (E)-9-triethylsilylnon-8-enoate
CID 12996061
[(E)-1-triethylsilyldec-1-en-3-yl] acetate
CID 101544369
[(3R)-pentadec-1-en-3-yl] dodecanoate
CID 132559102
Methyl 11-methylidene-13-triethylsilyltridecanoate
CID 135061991
Ethyl (z)-2-(tetrahydro-2h-pyran-2-yl)-3-(triisopropylsilyl)acrylate
CID 138983944
Methyl 10-methylidene-12-trimethylsilyldodecanoate
CID 176427897
Methyl 10-methylidene-12-tri(propan-2-yloxy)silyldodecanoate
CID 176427899
1-Oxacyclopentadecan-2-one, 15-isopropenyl
CID 557450
ethyl (2E)-8-trimethylsilyl-2-(trimethylsilylmethylidene)oct-7-ynoate
CID 10381636
diethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate
CID 10431005
Ethyl 6-hydroxy-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate
CID 15254806
Ethyl 2-methylidenehexadecanoate
CID 10913493

Frequently Asked Questions

What is the IUPAC name of 15-prop-1-en-2-yl-3-trimethylsilyl-oxacyclopentadecan-2-one?
The IUPAC name of 15-prop-1-en-2-yl-3-trimethylsilyl-oxacyclopentadecan-2-one (CID 552374) is 15-prop-1-en-2-yl-3-trimethylsilyl-oxacyclopentadecan-2-one.
What is the SMILES notation for 15-prop-1-en-2-yl-3-trimethylsilyl-oxacyclopentadecan-2-one?
The canonical SMILES for 15-prop-1-en-2-yl-3-trimethylsilyl-oxacyclopentadecan-2-one is C=C(C)C1CCCCCCCCCCCC([Si](C)(C)C)C(=O)O1.
What is the InChIKey of 15-prop-1-en-2-yl-3-trimethylsilyl-oxacyclopentadecan-2-one?
The InChIKey is MGQDGDXNLWLHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-17(2)18-15-13-11-9-7-6-8-10-12-14-16-19(20(21)22-18)23(3,4)5/h18-19H,1,6-16H2,2-5H3.
What are the key properties of 15-prop-1-en-2-yl-3-trimethylsilyl-oxacyclopentadecan-2-one?
15-prop-1-en-2-yl-3-trimethylsilyl-oxacyclopentadecan-2-one has a molecular weight of 338.61 g/mol, XLogP of 6.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-prop-1-en-2-yl-3-trimethylsilyl-oxacyclopentadecan-2-one is sourced from PubChem (CID 552374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).