8-methylnonyl 2-methylprop-2-enoate;oxolan-2-ylmethyl 2-methylprop-2-enoate

C23H40O5 — CID 70019824

IUPAC8-methylnonyl 2-methylprop-2-enoate;oxolan-2-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCCO1.C=C(C)C(=O)OCCCCCCCC(C)C
InChIInChI=1S/C14H26O2.C9H14O3/c1-12(2)10-8-6-5-7-9-11-16-14(15)13(3)4;1-7(2)9(10)12-6-8-4-3-5-11-8/h12H,3,5-11H2,1-2,4H3;8H,1,3-6H2,2H3
InChIKeyBRLOYTLGNGJFRH-UHFFFAOYSA-N
MW396.57 g/mol
LogP5.39
Rot. Bonds12

About 8-methylnonyl 2-methylprop-2-enoate;oxolan-2-ylmethyl 2-methylprop-2-enoate

8-methylnonyl 2-methylprop-2-enoate;oxolan-2-ylmethyl 2-methylprop-2-enoate (PubChem CID 70019824) has the molecular formula C23H40O5 and a molecular weight of 396.57 g/mol. Its IUPAC name is 8-methylnonyl 2-methylprop-2-enoate;oxolan-2-ylmethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name8-methylnonyl 2-methylprop-2-enoate;oxolan-2-ylmethyl 2-methylprop-2-enoate
PubChem CID70019824
Molecular FormulaC23H40O5
Molecular Weight396.57 g/mol
Exact Mass396.29
IUPAC Name8-methylnonyl 2-methylprop-2-enoate;oxolan-2-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCCO1.C=C(C)C(=O)OCCCCCCCC(C)C
InChIInChI=1S/C14H26O2.C9H14O3/c1-12(2)10-8-6-5-7-9-11-16-14(15)13(3)4;1-7(2)9(10)12-6-8-4-3-5-11-8/h12H,3,5-11H2,1-2,4H3;8H,1,3-6H2,2H3
InChIKeyBRLOYTLGNGJFRH-UHFFFAOYSA-N
XLogP5.39
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.57
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate
CID 67764408
8-methylnonyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxetane
CID 175474379
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049
6-methylheptyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 175749007
oxolan-2-ylmethyl 2-iodoprop-2-enoate
CID 71551537
4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate
CID 158042491
methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate
CID 87428070
bis(7-methyloctyl) 2-methylidenebutanedioate
CID 89414973
bis(14-methylpentadecyl) oxalate
CID 88541014
4-O-[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 1-O-(oxan-2-ylmethyl) butanedioate
CID 59248519
18-methylnonadecyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
CID 139721174
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087

Frequently Asked Questions

What is the IUPAC name of 8-methylnonyl 2-methylprop-2-enoate;oxolan-2-ylmethyl 2-methylprop-2-enoate?
The IUPAC name of 8-methylnonyl 2-methylprop-2-enoate;oxolan-2-ylmethyl 2-methylprop-2-enoate (CID 70019824) is 8-methylnonyl 2-methylprop-2-enoate;oxolan-2-ylmethyl 2-methylprop-2-enoate.
What is the SMILES notation for 8-methylnonyl 2-methylprop-2-enoate;oxolan-2-ylmethyl 2-methylprop-2-enoate?
The canonical SMILES for 8-methylnonyl 2-methylprop-2-enoate;oxolan-2-ylmethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1CCCO1.C=C(C)C(=O)OCCCCCCCC(C)C.
What is the InChIKey of 8-methylnonyl 2-methylprop-2-enoate;oxolan-2-ylmethyl 2-methylprop-2-enoate?
The InChIKey is BRLOYTLGNGJFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2.C9H14O3/c1-12(2)10-8-6-5-7-9-11-16-14(15)13(3)4;1-7(2)9(10)12-6-8-4-3-5-11-8/h12H,3,5-11H2,1-2,4H3;8H,1,3-6H2,2H3.
What are the key properties of 8-methylnonyl 2-methylprop-2-enoate;oxolan-2-ylmethyl 2-methylprop-2-enoate?
8-methylnonyl 2-methylprop-2-enoate;oxolan-2-ylmethyl 2-methylprop-2-enoate has a molecular weight of 396.57 g/mol, XLogP of 5.39, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnonyl 2-methylprop-2-enoate;oxolan-2-ylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 70019824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).