[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]cyclohexen-1-yl] 2-(methoxymethyl)prop-2-enoate

C22H26O6 — CID 147533315

IUPAC[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]cyclohexen-1-yl] 2-(methoxymethyl)prop-2-enoate
SMILESC=C(COC)C(=O)OC1=CCC(c2ccc(OC(=O)C(=C)COC)cc2)CC1
InChIInChI=1S/C22H26O6/c1-15(13-25-3)21(23)27-19-9-5-17(6-10-19)18-7-11-20(12-8-18)28-22(24)16(2)14-26-4/h5-6,9-11,18H,1-2,7-8,12-14H2,3-4H3
InChIKeyFNMIIHHMSVQANW-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.69
Rot. Bonds9

About [4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]cyclohexen-1-yl] 2-(methoxymethyl)prop-2-enoate

[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]cyclohexen-1-yl] 2-(methoxymethyl)prop-2-enoate (PubChem CID 147533315) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is [4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]cyclohexen-1-yl] 2-(methoxymethyl)prop-2-enoate.

Molecular Properties

Compound Name[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]cyclohexen-1-yl] 2-(methoxymethyl)prop-2-enoate
PubChem CID147533315
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]cyclohexen-1-yl] 2-(methoxymethyl)prop-2-enoate
SMILESC=C(COC)C(=O)OC1=CCC(c2ccc(OC(=O)C(=C)COC)cc2)CC1
InChIInChI=1S/C22H26O6/c1-15(13-25-3)21(23)27-19-9-5-17(6-10-19)18-7-11-20(12-8-18)28-22(24)16(2)14-26-4/h5-6,9-11,18H,1-2,7-8,12-14H2,3-4H3
InChIKeyFNMIIHHMSVQANW-UHFFFAOYSA-N
XLogP3.69
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 146704143
[4-[4-(2-methylprop-2-enoyloxy)phenyl]-2-(4-pentylcyclohex-3-en-1-yl)phenyl] 2-(methoxymethyl)prop-2-enoate
CID 146668717
[4-[4-(2-methylprop-2-enoyloxy)-3-[4-(4-propylcyclohexyl)phenyl]phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 146668096
[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]-3-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 146668668
propyl [4-(4-propylphenyl)cyclohexen-1-yl] carbonate
CID 139803597
2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate
CID 149008109
[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]-5-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 146669142
[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]-2-(4-pentylphenyl)phenyl]phenyl]cyclohexyl] 2-(methoxymethyl)prop-2-enoate
CID 146668883
[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]-3-prop-2-enoyloxyphenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 155139427
[4-[3-fluoro-4-[3-fluoro-4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 148814539
4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid
CID 82295233
[4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl]methyl 2-methylprop-2-enoate
CID 118458159

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]cyclohexen-1-yl] 2-(methoxymethyl)prop-2-enoate?
The IUPAC name of [4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]cyclohexen-1-yl] 2-(methoxymethyl)prop-2-enoate (CID 147533315) is [4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]cyclohexen-1-yl] 2-(methoxymethyl)prop-2-enoate.
What is the SMILES notation for [4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]cyclohexen-1-yl] 2-(methoxymethyl)prop-2-enoate?
The canonical SMILES for [4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]cyclohexen-1-yl] 2-(methoxymethyl)prop-2-enoate is C=C(COC)C(=O)OC1=CCC(c2ccc(OC(=O)C(=C)COC)cc2)CC1.
What is the InChIKey of [4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]cyclohexen-1-yl] 2-(methoxymethyl)prop-2-enoate?
The InChIKey is FNMIIHHMSVQANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O6/c1-15(13-25-3)21(23)27-19-9-5-17(6-10-19)18-7-11-20(12-8-18)28-22(24)16(2)14-26-4/h5-6,9-11,18H,1-2,7-8,12-14H2,3-4H3.
What are the key properties of [4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]cyclohexen-1-yl] 2-(methoxymethyl)prop-2-enoate?
[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]cyclohexen-1-yl] 2-(methoxymethyl)prop-2-enoate has a molecular weight of 386.44 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]cyclohexen-1-yl] 2-(methoxymethyl)prop-2-enoate is sourced from PubChem (CID 147533315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).