(2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate

C16H26O4 — CID 131723132

IUPAC(2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC(C)(C)CCCCC(C)(C)OC(=O)C=C
InChIInChI=1S/C16H26O4/c1-7-13(17)19-15(3,4)11-9-10-12-16(5,6)20-14(18)8-2/h7-8H,1-2,9-12H2,3-6H3
InChIKeyQQEBPCVFDJBOKU-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.56
Rot. Bonds9

About (2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate

(2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate (PubChem CID 131723132) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate
PubChem CID131723132
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name(2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC(C)(C)CCCCC(C)(C)OC(=O)C=C
InChIInChI=1S/C16H26O4/c1-7-13(17)19-15(3,4)11-9-10-12-16(5,6)20-14(18)8-2/h7-8H,1-2,9-12H2,3-6H3
InChIKeyQQEBPCVFDJBOKU-UHFFFAOYSA-N
XLogP3.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate
CID 131723135
(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
7-pentyltridecan-7-yl prop-2-enoate
CID 166072578
[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
2-methyl-2-prop-2-enoyloxypropane-1-sulfonate
CID 167346440
tert-butyl prop-2-enoate;methanol
CID 174833528

Frequently Asked Questions

What is the IUPAC name of (2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate?
The IUPAC name of (2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate (CID 131723132) is (2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate.
What is the SMILES notation for (2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate?
The canonical SMILES for (2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate is C=CC(=O)OC(C)(C)CCCCC(C)(C)OC(=O)C=C.
What is the InChIKey of (2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate?
The InChIKey is QQEBPCVFDJBOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-7-13(17)19-15(3,4)11-9-10-12-16(5,6)20-14(18)8-2/h7-8H,1-2,9-12H2,3-6H3.
What are the key properties of (2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate?
(2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate has a molecular weight of 282.38 g/mol, XLogP of 3.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate is sourced from PubChem (CID 131723132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).