dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate

C20H30O6 — CID 174735157

IUPACdicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate
SMILESC=CC(=O)OC.O=C(/C=C\C(=O)OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C16H24O4.C4H6O2/c17-15(19-13-7-3-1-4-8-13)11-12-16(18)20-14-9-5-2-6-10-14;1-3-4(5)6-2/h11-14H,1-10H2;3H,1H2,2H3/b12-11-;
InChIKeyXMBOQHVFLXIQCT-AFEZEDKISA-N
MW366.45 g/mol
LogP3.64
Rot. Bonds5

About dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate

dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate (PubChem CID 174735157) has the molecular formula C20H30O6 and a molecular weight of 366.45 g/mol. Its IUPAC name is dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate.

Molecular Properties

Compound Namedicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate
PubChem CID174735157
Molecular FormulaC20H30O6
Molecular Weight366.45 g/mol
Exact Mass366.20
IUPAC Namedicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate
SMILESC=CC(=O)OC.O=C(/C=C\C(=O)OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C16H24O4.C4H6O2/c17-15(19-13-7-3-1-4-8-13)11-12-16(18)20-14-9-5-2-6-10-14;1-3-4(5)6-2/h11-14H,1-10H2;3H,1H2,2H3/b12-11-;
InChIKeyXMBOQHVFLXIQCT-AFEZEDKISA-N
XLogP3.64
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate?
The IUPAC name of dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate (CID 174735157) is dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate.
What is the SMILES notation for dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate?
The canonical SMILES for dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate is C=CC(=O)OC.O=C(/C=C\C(=O)OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate?
The InChIKey is XMBOQHVFLXIQCT-AFEZEDKISA-N. The full InChI is InChI=1S/C16H24O4.C4H6O2/c17-15(19-13-7-3-1-4-8-13)11-12-16(18)20-14-9-5-2-6-10-14;1-3-4(5)6-2/h11-14H,1-10H2;3H,1H2,2H3/b12-11-;.
What are the key properties of dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate?
dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate has a molecular weight of 366.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate is sourced from PubChem (CID 174735157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).