butyl acetate;2-(1-fluoropropyl)-2-methyloxasilinane

C14H29FO3Si — CID 174878181

IUPACbutyl acetate;2-(1-fluoropropyl)-2-methyloxasilinane
SMILESCCC(F)[Si]1(C)CCCCO1.CCCCOC(C)=O
InChIInChI=1S/C8H17FOSi.C6H12O2/c1-3-8(9)11(2)7-5-4-6-10-11;1-3-4-5-8-6(2)7/h8H,3-7H2,1-2H3;3-5H2,1-2H3
InChIKeyRUGAUPKLPQVPIE-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.01
Rot. Bonds5

About butyl acetate;2-(1-fluoropropyl)-2-methyloxasilinane

butyl acetate;2-(1-fluoropropyl)-2-methyloxasilinane (PubChem CID 174878181) has the molecular formula C14H29FO3Si and a molecular weight of 292.47 g/mol. Its IUPAC name is butyl acetate;2-(1-fluoropropyl)-2-methyloxasilinane.

Molecular Properties

Compound Namebutyl acetate;2-(1-fluoropropyl)-2-methyloxasilinane
PubChem CID174878181
Molecular FormulaC14H29FO3Si
Molecular Weight292.47 g/mol
Exact Mass292.19
IUPAC Namebutyl acetate;2-(1-fluoropropyl)-2-methyloxasilinane
SMILESCCC(F)[Si]1(C)CCCCO1.CCCCOC(C)=O
InChIInChI=1S/C8H17FOSi.C6H12O2/c1-3-8(9)11(2)7-5-4-6-10-11;1-3-4-5-8-6(2)7/h8H,3-7H2,1-2H3;3-5H2,1-2H3
InChIKeyRUGAUPKLPQVPIE-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl acetate;oxolane;propan-2-one
CID 158259250
butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane
CID 23091826
magnesium;hydride;pentyl acetate
CID 174803356
CID 159701402
CID 159701402
CID 159328585
CID 159328585
CID 87429945
CID 87429945
butyl acetate;2-methylpropan-1-ol
CID 118093159
calcium;hydride;octadecyl acetate
CID 174802798
magnesium;hydride;nonyl acetate
CID 174803218
acetic acid;butyl acetate
CID 158450873
alumane;hexyl acetate
CID 174832794
azane;tetradecyl acetate
CID 87432458

Frequently Asked Questions

What is the IUPAC name of butyl acetate;2-(1-fluoropropyl)-2-methyloxasilinane?
The IUPAC name of butyl acetate;2-(1-fluoropropyl)-2-methyloxasilinane (CID 174878181) is butyl acetate;2-(1-fluoropropyl)-2-methyloxasilinane.
What is the SMILES notation for butyl acetate;2-(1-fluoropropyl)-2-methyloxasilinane?
The canonical SMILES for butyl acetate;2-(1-fluoropropyl)-2-methyloxasilinane is CCC(F)[Si]1(C)CCCCO1.CCCCOC(C)=O.
What is the InChIKey of butyl acetate;2-(1-fluoropropyl)-2-methyloxasilinane?
The InChIKey is RUGAUPKLPQVPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FOSi.C6H12O2/c1-3-8(9)11(2)7-5-4-6-10-11;1-3-4-5-8-6(2)7/h8H,3-7H2,1-2H3;3-5H2,1-2H3.
What are the key properties of butyl acetate;2-(1-fluoropropyl)-2-methyloxasilinane?
butyl acetate;2-(1-fluoropropyl)-2-methyloxasilinane has a molecular weight of 292.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl acetate;2-(1-fluoropropyl)-2-methyloxasilinane is sourced from PubChem (CID 174878181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).