2-(1,1-dipropoxyethyl)decyl 2-methylprop-2-enoate

C22H42O4 — CID 150853964

IUPAC2-(1,1-dipropoxyethyl)decyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCCCCCCC)C(C)(OCCC)OCCC
InChIInChI=1S/C22H42O4/c1-7-10-11-12-13-14-15-20(18-24-21(23)19(4)5)22(6,25-16-8-2)26-17-9-3/h20H,4,7-18H2,1-3,5-6H3
InChIKeyKQPOUGYWFUEAPC-UHFFFAOYSA-N
MW370.57 g/mol
LogP6.04
Rot. Bonds17

About 2-(1,1-dipropoxyethyl)decyl 2-methylprop-2-enoate

2-(1,1-dipropoxyethyl)decyl 2-methylprop-2-enoate (PubChem CID 150853964) has the molecular formula C22H42O4 and a molecular weight of 370.57 g/mol. Its IUPAC name is 2-(1,1-dipropoxyethyl)decyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(1,1-dipropoxyethyl)decyl 2-methylprop-2-enoate
PubChem CID150853964
Molecular FormulaC22H42O4
Molecular Weight370.57 g/mol
Exact Mass370.31
IUPAC Name2-(1,1-dipropoxyethyl)decyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCCCCCCC)C(C)(OCCC)OCCC
InChIInChI=1S/C22H42O4/c1-7-10-11-12-13-14-15-20(18-24-21(23)19(4)5)22(6,25-16-8-2)26-17-9-3/h20H,4,7-18H2,1-3,5-6H3
InChIKeyKQPOUGYWFUEAPC-UHFFFAOYSA-N
XLogP6.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.57
LogP ≤ 56.04
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

2-(tripropoxymethyl)decyl 2-methylprop-2-enoate
CID 151527523
2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate
CID 150627541
4-tert-butyldodecyl 2-methylprop-2-enoate
CID 151688147
3-(2-bromopropan-2-yl)heptadecyl 2-methylprop-2-enoate
CID 141440085
2-hexadecyldocosyl 2-methylprop-2-enoate
CID 140764286
2-heptylundecyl 2-methylprop-2-enoate
CID 90816570
[(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate
CID 99121360
4-(3-ethylpentan-3-yl)dodecyl 2-methylprop-2-enoate
CID 151684910
3-methylhexadecyl 2-methylprop-2-enoate
CID 140601644
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
CID 87149420
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
2-cyanooctyl 2-methylprop-2-enoate
CID 139633451

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dipropoxyethyl)decyl 2-methylprop-2-enoate?
The IUPAC name of 2-(1,1-dipropoxyethyl)decyl 2-methylprop-2-enoate (CID 150853964) is 2-(1,1-dipropoxyethyl)decyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(1,1-dipropoxyethyl)decyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(1,1-dipropoxyethyl)decyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CCCCCCCC)C(C)(OCCC)OCCC.
What is the InChIKey of 2-(1,1-dipropoxyethyl)decyl 2-methylprop-2-enoate?
The InChIKey is KQPOUGYWFUEAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O4/c1-7-10-11-12-13-14-15-20(18-24-21(23)19(4)5)22(6,25-16-8-2)26-17-9-3/h20H,4,7-18H2,1-3,5-6H3.
What are the key properties of 2-(1,1-dipropoxyethyl)decyl 2-methylprop-2-enoate?
2-(1,1-dipropoxyethyl)decyl 2-methylprop-2-enoate has a molecular weight of 370.57 g/mol, XLogP of 6.04, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dipropoxyethyl)decyl 2-methylprop-2-enoate is sourced from PubChem (CID 150853964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).