9-propan-2-yloxynonyl 2-methylprop-2-enoate

C16H30O3 — CID 58451766

IUPAC9-propan-2-yloxynonyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCOC(C)C
InChIInChI=1S/C16H30O3/c1-14(2)16(17)19-13-11-9-7-5-6-8-10-12-18-15(3)4/h15H,1,5-13H2,2-4H3
InChIKeyDKUVCOABOSNMJD-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.26
Rot. Bonds12

About 9-propan-2-yloxynonyl 2-methylprop-2-enoate

9-propan-2-yloxynonyl 2-methylprop-2-enoate (PubChem CID 58451766) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 9-propan-2-yloxynonyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name9-propan-2-yloxynonyl 2-methylprop-2-enoate
PubChem CID58451766
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name9-propan-2-yloxynonyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCOC(C)C
InChIInChI=1S/C16H30O3/c1-14(2)16(17)19-13-11-9-7-5-6-8-10-12-18-15(3)4/h15H,1,5-13H2,2-4H3
InChIKeyDKUVCOABOSNMJD-UHFFFAOYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-propan-2-yloxynonyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-propan-2-yloxypropyl 2-methylprop-2-enoate
CID 23399612
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
propan-2-yl 7-(2-methylprop-2-enoyloxy)heptanoate
CID 58298977
8-[(2R)-2-chloropropanoyl]oxyoctyl 2-methylprop-2-enoate
CID 102275209
3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 22641153
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
octatetracontyl 2-methylprop-2-enoate
CID 141233444
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yloxynonyl 2-methylprop-2-enoate?
The IUPAC name of 9-propan-2-yloxynonyl 2-methylprop-2-enoate (CID 58451766) is 9-propan-2-yloxynonyl 2-methylprop-2-enoate.
What is the SMILES notation for 9-propan-2-yloxynonyl 2-methylprop-2-enoate?
The canonical SMILES for 9-propan-2-yloxynonyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCOC(C)C.
What is the InChIKey of 9-propan-2-yloxynonyl 2-methylprop-2-enoate?
The InChIKey is DKUVCOABOSNMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-14(2)16(17)19-13-11-9-7-5-6-8-10-12-18-15(3)4/h15H,1,5-13H2,2-4H3.
What are the key properties of 9-propan-2-yloxynonyl 2-methylprop-2-enoate?
9-propan-2-yloxynonyl 2-methylprop-2-enoate has a molecular weight of 270.41 g/mol, XLogP of 4.26, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yloxynonyl 2-methylprop-2-enoate is sourced from PubChem (CID 58451766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).