6-prop-2-enoyloxyhexan-2-yl 2,2-dimethylpropanoate

C14H24O4 — CID 175274876

IUPAC6-prop-2-enoyloxyhexan-2-yl 2,2-dimethylpropanoate
SMILESC=CC(=O)OCCCCC(C)OC(=O)C(C)(C)C
InChIInChI=1S/C14H24O4/c1-6-12(15)17-10-8-7-9-11(2)18-13(16)14(3,4)5/h6,11H,1,7-10H2,2-5H3
InChIKeyHWEJOFUSNZKMFB-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.86
Rot. Bonds7

About 6-prop-2-enoyloxyhexan-2-yl 2,2-dimethylpropanoate

6-prop-2-enoyloxyhexan-2-yl 2,2-dimethylpropanoate (PubChem CID 175274876) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 6-prop-2-enoyloxyhexan-2-yl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name6-prop-2-enoyloxyhexan-2-yl 2,2-dimethylpropanoate
PubChem CID175274876
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name6-prop-2-enoyloxyhexan-2-yl 2,2-dimethylpropanoate
SMILESC=CC(=O)OCCCCC(C)OC(=O)C(C)(C)C
InChIInChI=1S/C14H24O4/c1-6-12(15)17-10-8-7-9-11(2)18-13(16)14(3,4)5/h6,11H,1,7-10H2,2-5H3
InChIKeyHWEJOFUSNZKMFB-UHFFFAOYSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.86
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

3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate
CID 162239045
(6-methyl-5-propan-2-ylheptyl) prop-2-enoate
CID 162450476
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
6-methylheptyl prop-2-enoate;prop-2-enamide
CID 6452299
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
6-methyltetradecyl prop-2-enoate
CID 87169125
7-methyltridecyl prop-2-enoate
CID 139834261
6-methylnonyl prop-2-enoate
CID 21298968
(Z)-but-2-enedioic acid;6-methylheptyl prop-2-enoate
CID 174829872
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 164930004

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enoyloxyhexan-2-yl 2,2-dimethylpropanoate?
The IUPAC name of 6-prop-2-enoyloxyhexan-2-yl 2,2-dimethylpropanoate (CID 175274876) is 6-prop-2-enoyloxyhexan-2-yl 2,2-dimethylpropanoate.
What is the SMILES notation for 6-prop-2-enoyloxyhexan-2-yl 2,2-dimethylpropanoate?
The canonical SMILES for 6-prop-2-enoyloxyhexan-2-yl 2,2-dimethylpropanoate is C=CC(=O)OCCCCC(C)OC(=O)C(C)(C)C.
What is the InChIKey of 6-prop-2-enoyloxyhexan-2-yl 2,2-dimethylpropanoate?
The InChIKey is HWEJOFUSNZKMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-6-12(15)17-10-8-7-9-11(2)18-13(16)14(3,4)5/h6,11H,1,7-10H2,2-5H3.
What are the key properties of 6-prop-2-enoyloxyhexan-2-yl 2,2-dimethylpropanoate?
6-prop-2-enoyloxyhexan-2-yl 2,2-dimethylpropanoate has a molecular weight of 256.34 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enoyloxyhexan-2-yl 2,2-dimethylpropanoate is sourced from PubChem (CID 175274876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).