cyclohexane-1,3-diol;methyl prop-2-enoate

C10H18O4 — CID 174824119

IUPACcyclohexane-1,3-diol;methyl prop-2-enoate
SMILESC=CC(=O)OC.OC1CCCC(O)C1
InChIInChI=1S/C6H12O2.C4H6O2/c7-5-2-1-3-6(8)4-5;1-3-4(5)6-2/h5-8H,1-4H2;3H,1H2,2H3
InChIKeyUMSPEYWTQPMPQM-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.63
Rot. Bonds1

About cyclohexane-1,3-diol;methyl prop-2-enoate

cyclohexane-1,3-diol;methyl prop-2-enoate (PubChem CID 174824119) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is cyclohexane-1,3-diol;methyl prop-2-enoate.

Molecular Properties

Compound Namecyclohexane-1,3-diol;methyl prop-2-enoate
PubChem CID174824119
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namecyclohexane-1,3-diol;methyl prop-2-enoate
SMILESC=CC(=O)OC.OC1CCCC(O)C1
InChIInChI=1S/C6H12O2.C4H6O2/c7-5-2-1-3-6(8)4-5;1-3-4(5)6-2/h5-8H,1-4H2;3H,1H2,2H3
InChIKeyUMSPEYWTQPMPQM-UHFFFAOYSA-N
XLogP0.63
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 cyclohexane-1,3-diol;methyl prop-2-enoate?
The IUPAC name of cyclohexane-1,3-diol;methyl prop-2-enoate (CID 174824119) is cyclohexane-1,3-diol;methyl prop-2-enoate.
What is the SMILES notation for cyclohexane-1,3-diol;methyl prop-2-enoate?
The canonical SMILES for cyclohexane-1,3-diol;methyl prop-2-enoate is C=CC(=O)OC.OC1CCCC(O)C1.
What is the InChIKey of cyclohexane-1,3-diol;methyl prop-2-enoate?
The InChIKey is UMSPEYWTQPMPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H6O2/c7-5-2-1-3-6(8)4-5;1-3-4(5)6-2/h5-8H,1-4H2;3H,1H2,2H3.
What are the key properties of cyclohexane-1,3-diol;methyl prop-2-enoate?
cyclohexane-1,3-diol;methyl prop-2-enoate has a molecular weight of 202.25 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,3-diol;methyl prop-2-enoate is sourced from PubChem (CID 174824119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).