10-prop-2-enoyloxydecyl 2-methylidenebutanoate

C18H30O4 — CID 129102751

IUPAC10-prop-2-enoyloxydecyl 2-methylidenebutanoate
SMILESC=CC(=O)OCCCCCCCCCCOC(=O)C(=C)CC
InChIInChI=1S/C18H30O4/c1-4-16(3)18(20)22-15-13-11-9-7-6-8-10-12-14-21-17(19)5-2/h5H,2-4,6-15H2,1H3
InChIKeyJBCBAMLRHVPNGY-UHFFFAOYSA-N
MW310.43 g/mol
LogP4.35
Rot. Bonds14

About 10-prop-2-enoyloxydecyl 2-methylidenebutanoate

10-prop-2-enoyloxydecyl 2-methylidenebutanoate (PubChem CID 129102751) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is 10-prop-2-enoyloxydecyl 2-methylidenebutanoate.

Molecular Properties

Compound Name10-prop-2-enoyloxydecyl 2-methylidenebutanoate
PubChem CID129102751
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name10-prop-2-enoyloxydecyl 2-methylidenebutanoate
SMILESC=CC(=O)OCCCCCCCCCCOC(=O)C(=C)CC
InChIInChI=1S/C18H30O4/c1-4-16(3)18(20)22-15-13-11-9-7-6-8-10-12-14-21-17(19)5-2/h5H,2-4,6-15H2,1H3
InChIKeyJBCBAMLRHVPNGY-UHFFFAOYSA-N
XLogP4.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

12-prop-2-enoyloxydodecyl 2-methylidenebutanoate
CID 129103082
2-prop-2-enoyloxyethyl 2-methylidenebutanoate
CID 57033268
butyl 2-methylidene-6-prop-2-enoyloxyhexanoate
CID 57068152
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
10-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate;10-prop-2-enoyloxydecyl prop-2-enoate;12-prop-2-enoyloxydodecyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162183490
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;9-prop-2-enoyloxynonyl prop-2-enoate
CID 160866067
3-prop-2-enoyloxypropyl 2-methylidenehexanoate
CID 56974872
octadecyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 157275770
decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate
CID 158639782
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322

Frequently Asked Questions

What is the IUPAC name of 10-prop-2-enoyloxydecyl 2-methylidenebutanoate?
The IUPAC name of 10-prop-2-enoyloxydecyl 2-methylidenebutanoate (CID 129102751) is 10-prop-2-enoyloxydecyl 2-methylidenebutanoate.
What is the SMILES notation for 10-prop-2-enoyloxydecyl 2-methylidenebutanoate?
The canonical SMILES for 10-prop-2-enoyloxydecyl 2-methylidenebutanoate is C=CC(=O)OCCCCCCCCCCOC(=O)C(=C)CC.
What is the InChIKey of 10-prop-2-enoyloxydecyl 2-methylidenebutanoate?
The InChIKey is JBCBAMLRHVPNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-4-16(3)18(20)22-15-13-11-9-7-6-8-10-12-14-21-17(19)5-2/h5H,2-4,6-15H2,1H3.
What are the key properties of 10-prop-2-enoyloxydecyl 2-methylidenebutanoate?
10-prop-2-enoyloxydecyl 2-methylidenebutanoate has a molecular weight of 310.43 g/mol, XLogP of 4.35, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-prop-2-enoyloxydecyl 2-methylidenebutanoate is sourced from PubChem (CID 129102751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).