propan-2-yl 2-methylidenenonanoate

C13H24O2 — CID 15497814

IUPACpropan-2-yl 2-methylidenenonanoate
SMILESC=C(CCCCCCC)C(=O)OC(C)C
InChIInChI=1S/C13H24O2/c1-5-6-7-8-9-10-12(4)13(14)15-11(2)3/h11H,4-10H2,1-3H3
InChIKeyFHUPKVNBHRNYOG-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.85
Rot. Bonds8

About propan-2-yl 2-methylidenenonanoate

propan-2-yl 2-methylidenenonanoate (PubChem CID 15497814) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is propan-2-yl 2-methylidenenonanoate.

Molecular Properties

Compound Namepropan-2-yl 2-methylidenenonanoate
PubChem CID15497814
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namepropan-2-yl 2-methylidenenonanoate
SMILESC=C(CCCCCCC)C(=O)OC(C)C
InChIInChI=1S/C13H24O2/c1-5-6-7-8-9-10-12(4)13(14)15-11(2)3/h11H,4-10H2,1-3H3
InChIKeyFHUPKVNBHRNYOG-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-Butyl-3-methylideneoxolan-2-one
CID 10820778
(2S)-4-dodec-11-enyl-2-methyl-2H-furan-5-one
CID 10801599
(2R)-4-hexadecyl-2-methyl-2H-furan-5-one
CID 10687323
3-Methylidene-5-tridecyloxolan-2-one
CID 118708706
2(3H)-Furanone, dihydro-3-methylene-5-pentyl-
CID 10583238
3-Methylidene-5-undecyloxolan-2-one
CID 44265392
Hexanoic acid, 2-methylene-, ethyl ester
CID 3014221
9-(Methoxycarbonyl)-9-decenoic acid
CID 23757109
1-Methylheptyl methacrylate
CID 3017445
5,5'-(Butane-1,4-diyl)bis(3-methylideneoxolan-2-one)
CID 307267
5,5'-(Pentane-1,5-diyl)bis(3-methylideneoxolan-2-one)
CID 307268
5,5'-(Hexane-1,6-diyl)bis(3-methylideneoxolan-2-one)
CID 307269

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methylidenenonanoate?
The IUPAC name of propan-2-yl 2-methylidenenonanoate (CID 15497814) is propan-2-yl 2-methylidenenonanoate.
What is the SMILES notation for propan-2-yl 2-methylidenenonanoate?
The canonical SMILES for propan-2-yl 2-methylidenenonanoate is C=C(CCCCCCC)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-methylidenenonanoate?
The InChIKey is FHUPKVNBHRNYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-6-7-8-9-10-12(4)13(14)15-11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of propan-2-yl 2-methylidenenonanoate?
propan-2-yl 2-methylidenenonanoate has a molecular weight of 212.33 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methylidenenonanoate is sourced from PubChem (CID 15497814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).