2-(1,1-dimethoxyethyl)decyl prop-2-enoate

C17H32O4 — CID 150928265

IUPAC2-(1,1-dimethoxyethyl)decyl prop-2-enoate
SMILESC=CC(=O)OCC(CCCCCCCC)C(C)(OC)OC
InChIInChI=1S/C17H32O4/c1-6-8-9-10-11-12-13-15(14-21-16(18)7-2)17(3,19-4)20-5/h7,15H,2,6,8-14H2,1,3-5H3
InChIKeyLFLWXMZWUIMCOS-UHFFFAOYSA-N
MW300.44 g/mol
LogP4.09
Rot. Bonds13

About 2-(1,1-dimethoxyethyl)decyl prop-2-enoate

2-(1,1-dimethoxyethyl)decyl prop-2-enoate (PubChem CID 150928265) has the molecular formula C17H32O4 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-(1,1-dimethoxyethyl)decyl prop-2-enoate.

Molecular Properties

Compound Name2-(1,1-dimethoxyethyl)decyl prop-2-enoate
PubChem CID150928265
Molecular FormulaC17H32O4
Molecular Weight300.44 g/mol
Exact Mass300.23
IUPAC Name2-(1,1-dimethoxyethyl)decyl prop-2-enoate
SMILESC=CC(=O)OCC(CCCCCCCC)C(C)(OC)OC
InChIInChI=1S/C17H32O4/c1-6-8-9-10-11-12-13-15(14-21-16(18)7-2)17(3,19-4)20-5/h7,15H,2,6,8-14H2,1,3-5H3
InChIKeyLFLWXMZWUIMCOS-UHFFFAOYSA-N
XLogP4.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

4-(1,1-dimethoxyethyl)dodecyl prop-2-enoate
CID 150677518
2-octyldecyl prop-2-enoate
CID 71353023
2-butyldodecyl prop-2-enoate
CID 141303705
3-(2-bromopropan-2-yl)nonyl prop-2-enoate
CID 141132914
2-(dimethylamino)octyl prop-2-enoate
CID 86745027
2-cyanooctyl prop-2-enoate
CID 155665658
2-(1,1-dimethoxyethyl)decan-1-amine
CID 151429563
7-methyltridecyl prop-2-enoate
CID 139834261
6-methyltetradecyl prop-2-enoate
CID 87169125
2-prop-2-enoyloxyheptyl prop-2-enoate
CID 123616440
2-(prop-2-enoxymethyl)octadecyl prop-2-enoate
CID 171774458
2-[bis(10,10-dimethylundecoxy)methyl]undecyl prop-2-enoate
CID 150861460

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dimethoxyethyl)decyl prop-2-enoate?
The IUPAC name of 2-(1,1-dimethoxyethyl)decyl prop-2-enoate (CID 150928265) is 2-(1,1-dimethoxyethyl)decyl prop-2-enoate.
What is the SMILES notation for 2-(1,1-dimethoxyethyl)decyl prop-2-enoate?
The canonical SMILES for 2-(1,1-dimethoxyethyl)decyl prop-2-enoate is C=CC(=O)OCC(CCCCCCCC)C(C)(OC)OC.
What is the InChIKey of 2-(1,1-dimethoxyethyl)decyl prop-2-enoate?
The InChIKey is LFLWXMZWUIMCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4/c1-6-8-9-10-11-12-13-15(14-21-16(18)7-2)17(3,19-4)20-5/h7,15H,2,6,8-14H2,1,3-5H3.
What are the key properties of 2-(1,1-dimethoxyethyl)decyl prop-2-enoate?
2-(1,1-dimethoxyethyl)decyl prop-2-enoate has a molecular weight of 300.44 g/mol, XLogP of 4.09, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dimethoxyethyl)decyl prop-2-enoate is sourced from PubChem (CID 150928265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).