7-methoxyheptyl 2-methylprop-2-enoate

C12H22O3 — CID 58788817

IUPAC7-methoxyheptyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCOC
InChIInChI=1S/C12H22O3/c1-11(2)12(13)15-10-8-6-4-5-7-9-14-3/h1,4-10H2,2-3H3
InChIKeyPVNROYDLMDOYAW-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.70
Rot. Bonds9

About 7-methoxyheptyl 2-methylprop-2-enoate

7-methoxyheptyl 2-methylprop-2-enoate (PubChem CID 58788817) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 7-methoxyheptyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name7-methoxyheptyl 2-methylprop-2-enoate
PubChem CID58788817
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name7-methoxyheptyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCOC
InChIInChI=1S/C12H22O3/c1-11(2)12(13)15-10-8-6-4-5-7-9-14-3/h1,4-10H2,2-3H3
InChIKeyPVNROYDLMDOYAW-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.70
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'}

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Related Compounds

butyl 2-methylprop-2-enoate;1-methoxydodecane
CID 90869404
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
butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate
CID 88636576
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
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
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
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
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527

Frequently Asked Questions

What is the IUPAC name of 7-methoxyheptyl 2-methylprop-2-enoate?
The IUPAC name of 7-methoxyheptyl 2-methylprop-2-enoate (CID 58788817) is 7-methoxyheptyl 2-methylprop-2-enoate.
What is the SMILES notation for 7-methoxyheptyl 2-methylprop-2-enoate?
The canonical SMILES for 7-methoxyheptyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCOC.
What is the InChIKey of 7-methoxyheptyl 2-methylprop-2-enoate?
The InChIKey is PVNROYDLMDOYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(2)12(13)15-10-8-6-4-5-7-9-14-3/h1,4-10H2,2-3H3.
What are the key properties of 7-methoxyheptyl 2-methylprop-2-enoate?
7-methoxyheptyl 2-methylprop-2-enoate has a molecular weight of 214.30 g/mol, XLogP of 2.70, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyheptyl 2-methylprop-2-enoate is sourced from PubChem (CID 58788817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).