(2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate

C15H24O4 — CID 131723135

IUPAC(2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC(C)(C)CCCC(C)(C)OC(=O)C=C
InChIInChI=1S/C15H24O4/c1-7-12(16)18-14(3,4)10-9-11-15(5,6)19-13(17)8-2/h7-8H,1-2,9-11H2,3-6H3
InChIKeyJDMCDHQABJMNCC-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.17
Rot. Bonds8

About (2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate

(2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate (PubChem CID 131723135) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate
PubChem CID131723135
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC(C)(C)CCCC(C)(C)OC(=O)C=C
InChIInChI=1S/C15H24O4/c1-7-12(16)18-14(3,4)10-9-11-15(5,6)19-13(17)8-2/h7-8H,1-2,9-11H2,3-6H3
InChIKeyJDMCDHQABJMNCC-UHFFFAOYSA-N
XLogP3.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate
CID 131723132
(3-methyl-3-prop-2-enoyloxybutyl) prop-2-enoate
CID 19428987
[4-(dimethylamino)-2-methylbutan-2-yl] prop-2-enoate
CID 139716915
(5-amino-2-methyl-5-prop-2-enoyloxyhexan-2-yl) prop-2-enoate
CID 146606688
6-methyl-2-pentyl-6-prop-2-enoyloxyheptanoic acid
CID 174810891
(2-methyl-1-methylsulfanylpropan-2-yl) prop-2-enoate
CID 20643698
2-methyl-2-prop-2-enoyloxypropane-1-sulfonate
CID 167346440
[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl] prop-2-enoate
CID 88942481
tert-butyl prop-2-enoate
CID 158231977
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
7-pentyltridecan-7-yl prop-2-enoate
CID 166072578
2-hydroxypropan-2-yl prop-2-enoate
CID 22726323

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate?
The IUPAC name of (2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate (CID 131723135) is (2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate.
What is the SMILES notation for (2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate?
The canonical SMILES for (2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate is C=CC(=O)OC(C)(C)CCCC(C)(C)OC(=O)C=C.
What is the InChIKey of (2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate?
The InChIKey is JDMCDHQABJMNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-7-12(16)18-14(3,4)10-9-11-15(5,6)19-13(17)8-2/h7-8H,1-2,9-11H2,3-6H3.
What are the key properties of (2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate?
(2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate has a molecular weight of 268.35 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate is sourced from PubChem (CID 131723135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).