carbonic acid;cyclohexyl 2-methylprop-2-enoate

C11H18O5 — CID 89120265

IUPACcarbonic acid;cyclohexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCCC1.O=C(O)O
InChIInChI=1S/C10H16O2.CH2O3/c1-8(2)10(11)12-9-6-4-3-5-7-9;2-1(3)4/h9H,1,3-7H2,2H3;(H2,2,3,4)
InChIKeyPESNEOLTFIOQLW-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.66
Rot. Bonds2

About carbonic acid;cyclohexyl 2-methylprop-2-enoate

carbonic acid;cyclohexyl 2-methylprop-2-enoate (PubChem CID 89120265) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is carbonic acid;cyclohexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namecarbonic acid;cyclohexyl 2-methylprop-2-enoate
PubChem CID89120265
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Namecarbonic acid;cyclohexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCCC1.O=C(O)O
InChIInChI=1S/C10H16O2.CH2O3/c1-8(2)10(11)12-9-6-4-3-5-7-9;2-1(3)4/h9H,1,3-7H2,2H3;(H2,2,3,4)
InChIKeyPESNEOLTFIOQLW-UHFFFAOYSA-N
XLogP2.66
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;cyclohexyl 2-methylprop-2-enoate?
The IUPAC name of carbonic acid;cyclohexyl 2-methylprop-2-enoate (CID 89120265) is carbonic acid;cyclohexyl 2-methylprop-2-enoate.
What is the SMILES notation for carbonic acid;cyclohexyl 2-methylprop-2-enoate?
The canonical SMILES for carbonic acid;cyclohexyl 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCCCC1.O=C(O)O.
What is the InChIKey of carbonic acid;cyclohexyl 2-methylprop-2-enoate?
The InChIKey is PESNEOLTFIOQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.CH2O3/c1-8(2)10(11)12-9-6-4-3-5-7-9;2-1(3)4/h9H,1,3-7H2,2H3;(H2,2,3,4).
What are the key properties of carbonic acid;cyclohexyl 2-methylprop-2-enoate?
carbonic acid;cyclohexyl 2-methylprop-2-enoate has a molecular weight of 230.26 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;cyclohexyl 2-methylprop-2-enoate is sourced from PubChem (CID 89120265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).