4-propylundecan-4-yl 2-methylprop-2-enoate

C18H34O2 — CID 164546631

IUPAC4-propylundecan-4-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCC)(CCC)CCCCCCC
InChIInChI=1S/C18H34O2/c1-6-9-10-11-12-15-18(13-7-2,14-8-3)20-17(19)16(4)5/h4,6-15H2,1-3,5H3
InChIKeyWUZMOVXPLRUSEB-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.81
Rot. Bonds12

About 4-propylundecan-4-yl 2-methylprop-2-enoate

4-propylundecan-4-yl 2-methylprop-2-enoate (PubChem CID 164546631) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-propylundecan-4-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-propylundecan-4-yl 2-methylprop-2-enoate
PubChem CID164546631
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name4-propylundecan-4-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCC)(CCC)CCCCCCC
InChIInChI=1S/C18H34O2/c1-6-9-10-11-12-15-18(13-7-2,14-8-3)20-17(19)16(4)5/h4,6-15H2,1-3,5H3
InChIKeyWUZMOVXPLRUSEB-UHFFFAOYSA-N
XLogP5.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.81
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'}

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Related Compounds

4-ethyloctan-4-yl 2-methylprop-2-enoate
CID 89044828
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
11-fluorodocosan-11-yl 2-methylprop-2-enoate
CID 88638006
5-propyldecan-5-yl acetate
CID 172855546
9-octyloctadecan-9-yl acetate
CID 87256953
13-dodecylpentacosan-13-yl acetate
CID 57064481
2-dodecoxypropan-2-yl 2-methylprop-2-enoate
CID 139797914
4-(2-ethoxypropan-2-yl)dodecan-4-yl 2-methylprop-2-enoate
CID 150043566
bis(17-pentyltritriacontan-17-yl) hexanedioate
CID 90428517
(2-hydroxy-3-oxoicosan-2-yl) 2-methylprop-2-enoate
CID 22155771
5-methylnonan-5-yl 2-methylprop-2-enoate
CID 139896561
(3-ethyl-4-methyldecan-3-yl) 2-methylprop-2-enoate
CID 164546755

Frequently Asked Questions

What is the IUPAC name of 4-propylundecan-4-yl 2-methylprop-2-enoate?
The IUPAC name of 4-propylundecan-4-yl 2-methylprop-2-enoate (CID 164546631) is 4-propylundecan-4-yl 2-methylprop-2-enoate.
What is the SMILES notation for 4-propylundecan-4-yl 2-methylprop-2-enoate?
The canonical SMILES for 4-propylundecan-4-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCC)(CCC)CCCCCCC.
What is the InChIKey of 4-propylundecan-4-yl 2-methylprop-2-enoate?
The InChIKey is WUZMOVXPLRUSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-6-9-10-11-12-15-18(13-7-2,14-8-3)20-17(19)16(4)5/h4,6-15H2,1-3,5H3.
What are the key properties of 4-propylundecan-4-yl 2-methylprop-2-enoate?
4-propylundecan-4-yl 2-methylprop-2-enoate has a molecular weight of 282.47 g/mol, XLogP of 5.81, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylundecan-4-yl 2-methylprop-2-enoate is sourced from PubChem (CID 164546631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).