1,1,1-trimethoxydecan-2-yloxymethyl 2-methylprop-2-enoate

C18H34O6 — CID 151254990

IUPAC1,1,1-trimethoxydecan-2-yloxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCOC(CCCCCCCC)C(OC)(OC)OC
InChIInChI=1S/C18H34O6/c1-7-8-9-10-11-12-13-16(18(20-4,21-5)22-6)23-14-24-17(19)15(2)3/h16H,2,7-14H2,1,3-6H3
InChIKeyNTDIJLXZUFXRPP-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.79
Rot. Bonds15

About 1,1,1-trimethoxydecan-2-yloxymethyl 2-methylprop-2-enoate

1,1,1-trimethoxydecan-2-yloxymethyl 2-methylprop-2-enoate (PubChem CID 151254990) has the molecular formula C18H34O6 and a molecular weight of 346.46 g/mol. Its IUPAC name is 1,1,1-trimethoxydecan-2-yloxymethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,1,1-trimethoxydecan-2-yloxymethyl 2-methylprop-2-enoate
PubChem CID151254990
Molecular FormulaC18H34O6
Molecular Weight346.46 g/mol
Exact Mass346.24
IUPAC Name1,1,1-trimethoxydecan-2-yloxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCOC(CCCCCCCC)C(OC)(OC)OC
InChIInChI=1S/C18H34O6/c1-7-8-9-10-11-12-13-16(18(20-4,21-5)22-6)23-14-24-17(19)15(2)3/h16H,2,7-14H2,1,3-6H3
InChIKeyNTDIJLXZUFXRPP-UHFFFAOYSA-N
XLogP3.79
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1,1,1-trimethoxydecan-2-yloxymethyl 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

Dodecyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 62178
Octadecyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 18439183
1-(2-Methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 17972293
Decyl-octyl methacrylate
CID 18417997
2-(Dodecyloxy)ethyl 2-methylprop-2-enoate
CID 20594935
Dodecyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 21498518
Decanediol dimethacrylate
CID 22136887
Lauryl myristyl methacrylate
CID 53880913
Octyl-decyl methacrylate
CID 87240190
1-Trimethylolpropane trimethacrylate
CID 129693672
Decan-dioldimethacrylate
CID 129719377
1,12-Dimethacryloxyoctadecane
CID 129727302

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trimethoxydecan-2-yloxymethyl 2-methylprop-2-enoate?
The IUPAC name of 1,1,1-trimethoxydecan-2-yloxymethyl 2-methylprop-2-enoate (CID 151254990) is 1,1,1-trimethoxydecan-2-yloxymethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,1,1-trimethoxydecan-2-yloxymethyl 2-methylprop-2-enoate?
The canonical SMILES for 1,1,1-trimethoxydecan-2-yloxymethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCOC(CCCCCCCC)C(OC)(OC)OC.
What is the InChIKey of 1,1,1-trimethoxydecan-2-yloxymethyl 2-methylprop-2-enoate?
The InChIKey is NTDIJLXZUFXRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O6/c1-7-8-9-10-11-12-13-16(18(20-4,21-5)22-6)23-14-24-17(19)15(2)3/h16H,2,7-14H2,1,3-6H3.
What are the key properties of 1,1,1-trimethoxydecan-2-yloxymethyl 2-methylprop-2-enoate?
1,1,1-trimethoxydecan-2-yloxymethyl 2-methylprop-2-enoate has a molecular weight of 346.46 g/mol, XLogP of 3.79, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trimethoxydecan-2-yloxymethyl 2-methylprop-2-enoate is sourced from PubChem (CID 151254990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).