8-phenoxyoctan-3-yl 2-methylprop-2-enoate

C18H26O3 — CID 175400272

IUPAC8-phenoxyoctan-3-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)CCCCCOc1ccccc1
InChIInChI=1S/C18H26O3/c1-4-16(21-18(19)15(2)3)11-9-6-10-14-20-17-12-7-5-8-13-17/h5,7-8,12-13,16H,2,4,6,9-11,14H2,1,3H3
InChIKeyJIJJWUVEAVMOQR-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.52
Rot. Bonds10

About 8-phenoxyoctan-3-yl 2-methylprop-2-enoate

8-phenoxyoctan-3-yl 2-methylprop-2-enoate (PubChem CID 175400272) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 8-phenoxyoctan-3-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name8-phenoxyoctan-3-yl 2-methylprop-2-enoate
PubChem CID175400272
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name8-phenoxyoctan-3-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)CCCCCOc1ccccc1
InChIInChI=1S/C18H26O3/c1-4-16(21-18(19)15(2)3)11-9-6-10-14-20-17-12-7-5-8-13-17/h5,7-8,12-13,16H,2,4,6,9-11,14H2,1,3H3
InChIKeyJIJJWUVEAVMOQR-UHFFFAOYSA-N
XLogP4.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

8-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyphenoxy]octan-3-yl 2-methylprop-2-enoate
CID 162519393
2-methylprop-2-enoic acid;octan-3-yl 2-methylprop-2-enoate
CID 158425765
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
11,11-dimethyldodecan-3-yl 2-methylprop-2-enoate
CID 164546841
14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate
CID 174290137
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
1-phenylnonyl 2-methylprop-2-enoate
CID 22335755
1-phenyldecyl 2-methylprop-2-enoate
CID 140764423
ethoxybenzene;ethyl 2-methylprop-2-enoate
CID 175299667
[1-ethoxy-3-(4-phenoxyphenoxy)propan-2-yl] 2-methylprop-2-enoate
CID 142355306
(1-acetyloxy-2-phenoxyethyl) 2-methylprop-2-enoate
CID 21390095
undecan-5-yl 2-methylprop-2-enoate
CID 87158130

Frequently Asked Questions

What is the IUPAC name of 8-phenoxyoctan-3-yl 2-methylprop-2-enoate?
The IUPAC name of 8-phenoxyoctan-3-yl 2-methylprop-2-enoate (CID 175400272) is 8-phenoxyoctan-3-yl 2-methylprop-2-enoate.
What is the SMILES notation for 8-phenoxyoctan-3-yl 2-methylprop-2-enoate?
The canonical SMILES for 8-phenoxyoctan-3-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)CCCCCOc1ccccc1.
What is the InChIKey of 8-phenoxyoctan-3-yl 2-methylprop-2-enoate?
The InChIKey is JIJJWUVEAVMOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-4-16(21-18(19)15(2)3)11-9-6-10-14-20-17-12-7-5-8-13-17/h5,7-8,12-13,16H,2,4,6,9-11,14H2,1,3H3.
What are the key properties of 8-phenoxyoctan-3-yl 2-methylprop-2-enoate?
8-phenoxyoctan-3-yl 2-methylprop-2-enoate has a molecular weight of 290.40 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenoxyoctan-3-yl 2-methylprop-2-enoate is sourced from PubChem (CID 175400272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).