2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate

C24H46O2 — CID 142686582

IUPAC2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCCCCC(C)C)CCCCCCC(C)C
InChIInChI=1S/C24H46O2/c1-20(2)16-12-8-7-9-14-18-23(26-24(25)22(5)6)19-15-11-10-13-17-21(3)4/h20-21,23H,5,7-19H2,1-4,6H3
InChIKeyNLLRYWMFYYQTKV-UHFFFAOYSA-N
MW366.63 g/mol
LogP7.86
Rot. Bonds17

About 2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate

2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate (PubChem CID 142686582) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is 2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate
PubChem CID142686582
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCCCCC(C)C)CCCCCCC(C)C
InChIInChI=1S/C24H46O2/c1-20(2)16-12-8-7-9-14-18-23(26-24(25)22(5)6)19-15-11-10-13-17-21(3)4/h20-21,23H,5,7-19H2,1-4,6H3
InChIKeyNLLRYWMFYYQTKV-UHFFFAOYSA-N
XLogP7.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 57.86
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

[10-methyl-1-(2-methylprop-2-enoyloxy)undecyl] 2-methylprop-2-enoate
CID 140695819
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
undecan-5-yl 2-methylprop-2-enoate
CID 87158130
tridecan-5-yl 2-methylprop-2-enoate
CID 164546460
hexadecan-4-yl 2-methylprop-2-enoate
CID 172709828
decan-4-yl 2-methylprop-2-enoate
CID 22149421
[12-methyl-2-(8-methylnonyl)tridecyl] 2-methylprop-2-enoate
CID 140900809
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
CID 87149420
1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate
CID 22715444
11,11-dimethyldodecan-3-yl 2-methylprop-2-enoate
CID 164546841
14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate
CID 174290137
2-methylprop-2-enoic acid;octan-3-yl 2-methylprop-2-enoate
CID 158425765

Frequently Asked Questions

What is the IUPAC name of 2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate?
The IUPAC name of 2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate (CID 142686582) is 2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate?
The canonical SMILES for 2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCCCCCCC(C)C)CCCCCCC(C)C.
What is the InChIKey of 2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate?
The InChIKey is NLLRYWMFYYQTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2/c1-20(2)16-12-8-7-9-14-18-23(26-24(25)22(5)6)19-15-11-10-13-17-21(3)4/h20-21,23H,5,7-19H2,1-4,6H3.
What are the key properties of 2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate?
2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate has a molecular weight of 366.63 g/mol, XLogP of 7.86, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate is sourced from PubChem (CID 142686582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).