(8-methyl-3-prop-2-enoyloxynonan-3-yl) prop-2-enoate

C16H26O4 — CID 167442239

IUPAC(8-methyl-3-prop-2-enoyloxynonan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC(CC)(CCCCC(C)C)OC(=O)C=C
InChIInChI=1S/C16H26O4/c1-6-14(17)19-16(8-3,20-15(18)7-2)12-10-9-11-13(4)5/h6-7,13H,1-2,8-12H2,3-5H3
InChIKeyNUKSXHFUALGSJH-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.77
Rot. Bonds10

About (8-methyl-3-prop-2-enoyloxynonan-3-yl) prop-2-enoate

(8-methyl-3-prop-2-enoyloxynonan-3-yl) prop-2-enoate (PubChem CID 167442239) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is (8-methyl-3-prop-2-enoyloxynonan-3-yl) prop-2-enoate.

Molecular Properties

Compound Name(8-methyl-3-prop-2-enoyloxynonan-3-yl) prop-2-enoate
PubChem CID167442239
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name(8-methyl-3-prop-2-enoyloxynonan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC(CC)(CCCCC(C)C)OC(=O)C=C
InChIInChI=1S/C16H26O4/c1-6-14(17)19-16(8-3,20-15(18)7-2)12-10-9-11-13(4)5/h6-7,13H,1-2,8-12H2,3-5H3
InChIKeyNUKSXHFUALGSJH-UHFFFAOYSA-N
XLogP3.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.77
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

4-prop-2-enoyloxyoctan-4-yl prop-2-enoate
CID 141007070
3-methoxyhexan-3-yl prop-2-enoate
CID 118937172
7-pentyltridecan-7-yl prop-2-enoate
CID 166072578
(3-ethyl-4-methyloctan-3-yl) prop-2-enoate
CID 164546565
(1,12-dihydroxy-1-prop-2-enoyloxytetradecyl) prop-2-enoate
CID 154691680
3-ethylpent-1-en-3-yl prop-2-enoate
CID 135009193
(2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate
CID 131723132
3-methylhexan-3-yl prop-2-enoate
CID 87498844
16-methyl-2,2-di(prop-2-enoyl)heptadecanoic acid
CID 87576273
6-methylheptyl prop-2-enoate;prop-2-enamide
CID 6452299
6-methyl-2-pentyl-6-prop-2-enoyloxyheptanoic acid
CID 174810891
4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate
CID 141057446

Frequently Asked Questions

What is the IUPAC name of (8-methyl-3-prop-2-enoyloxynonan-3-yl) prop-2-enoate?
The IUPAC name of (8-methyl-3-prop-2-enoyloxynonan-3-yl) prop-2-enoate (CID 167442239) is (8-methyl-3-prop-2-enoyloxynonan-3-yl) prop-2-enoate.
What is the SMILES notation for (8-methyl-3-prop-2-enoyloxynonan-3-yl) prop-2-enoate?
The canonical SMILES for (8-methyl-3-prop-2-enoyloxynonan-3-yl) prop-2-enoate is C=CC(=O)OC(CC)(CCCCC(C)C)OC(=O)C=C.
What is the InChIKey of (8-methyl-3-prop-2-enoyloxynonan-3-yl) prop-2-enoate?
The InChIKey is NUKSXHFUALGSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-6-14(17)19-16(8-3,20-15(18)7-2)12-10-9-11-13(4)5/h6-7,13H,1-2,8-12H2,3-5H3.
What are the key properties of (8-methyl-3-prop-2-enoyloxynonan-3-yl) prop-2-enoate?
(8-methyl-3-prop-2-enoyloxynonan-3-yl) prop-2-enoate has a molecular weight of 282.38 g/mol, XLogP of 3.77, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-3-prop-2-enoyloxynonan-3-yl) prop-2-enoate is sourced from PubChem (CID 167442239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).