cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene

C14H24O2 — CID 174922373

IUPACcyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
SMILESC=C(C)C.C=C(C)C(=O)OC1CCCCC1
InChIInChI=1S/C10H16O2.C4H8/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-4(2)3/h9H,1,3-7H2,2H3;1H2,2-3H3
InChIKeyJBYJBGCLICYMMM-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.02
Rot. Bonds2

About cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene

cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene (PubChem CID 174922373) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene.

Molecular Properties

Compound Namecyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
PubChem CID174922373
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namecyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
SMILESC=C(C)C.C=C(C)C(=O)OC1CCCCC1
InChIInChI=1S/C10H16O2.C4H8/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-4(2)3/h9H,1,3-7H2,2H3;1H2,2-3H3
InChIKeyJBYJBGCLICYMMM-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene?
The IUPAC name of cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene (CID 174922373) is cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene.
What is the SMILES notation for cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene?
The canonical SMILES for cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene is C=C(C)C.C=C(C)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene?
The InChIKey is JBYJBGCLICYMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.C4H8/c1-8(2)10(11)12-9-6-4-3-5-7-9;1-4(2)3/h9H,1,3-7H2,2H3;1H2,2-3H3.
What are the key properties of cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene?
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene has a molecular weight of 224.34 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene is sourced from PubChem (CID 174922373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).