(3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate

C17H32O2 — CID 164546755

IUPAC(3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)(CC)C(C)CCCCCC
InChIInChI=1S/C17H32O2/c1-7-10-11-12-13-15(6)17(8-2,9-3)19-16(18)14(4)5/h15H,4,7-13H2,1-3,5-6H3
InChIKeyNTFDSJMLMVCYRU-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.27
Rot. Bonds10

About (3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate

(3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate (PubChem CID 164546755) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate
PubChem CID164546755
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)(CC)C(C)CCCCCC
InChIInChI=1S/C17H32O2/c1-7-10-11-12-13-15(6)17(8-2,9-3)19-16(18)14(4)5/h15H,4,7-13H2,1-3,5-6H3
InChIKeyNTFDSJMLMVCYRU-UHFFFAOYSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.27
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'}

Analyze (3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-hydroxy-3-methyldecan-2-yl) 2-methylprop-2-enoate
CID 87380512
[1-hydroxy-2-(hydroxymethyl)-2-(2-methylprop-2-enoyloxy)nonan-3-yl] 2-methylprop-2-enoate
CID 139929012
1-hydroxydocosyl 2-methylprop-2-enoate
CID 140734527
[1,1-dihydroxy-1-(2-methylprop-2-enoyloxy)tridecan-2-yl] 2-methylprop-2-enoate
CID 140578349
4-propylundecan-4-yl 2-methylprop-2-enoate
CID 164546631
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
(3-ethyl-4-methyloctan-3-yl) prop-2-enoate
CID 164546565
undecan-5-yl 2-methylprop-2-enoate
CID 87158130
tridecan-5-yl 2-methylprop-2-enoate
CID 164546460
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
3-methylhexadecyl 2-methylprop-2-enoate
CID 140601644
hexadecan-4-yl 2-methylprop-2-enoate
CID 172709828

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate?
The IUPAC name of (3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate (CID 164546755) is (3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate?
The canonical SMILES for (3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)(CC)C(C)CCCCCC.
What is the InChIKey of (3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate?
The InChIKey is NTFDSJMLMVCYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-7-10-11-12-13-15(6)17(8-2,9-3)19-16(18)14(4)5/h15H,4,7-13H2,1-3,5-6H3.
What are the key properties of (3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate?
(3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate has a molecular weight of 268.44 g/mol, XLogP of 5.27, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 164546755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).