[2,4-dimethyl-4-[4-[4-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]pentan-2-yl] 2-methylprop-2-enoate

C32H44O4 — CID 142284351

IUPAC[2,4-dimethyl-4-[4-[4-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]pentan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)CC(C)(C)Oc1ccc(C2CCC(c3ccc(OC(C)C)cc3)CC2)cc1
InChIInChI=1S/C32H44O4/c1-22(2)30(33)36-32(7,8)21-31(5,6)35-29-19-15-27(16-20-29)25-11-9-24(10-12-25)26-13-17-28(18-14-26)34-23(3)4/h13-20,23-25H,1,9-12,21H2,2-8H3
InChIKeyLEFQDUDYOMEPMN-UHFFFAOYSA-N
MW492.70 g/mol
LogP8.36
Rot. Bonds10

About [2,4-dimethyl-4-[4-[4-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]pentan-2-yl] 2-methylprop-2-enoate

[2,4-dimethyl-4-[4-[4-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]pentan-2-yl] 2-methylprop-2-enoate (PubChem CID 142284351) has the molecular formula C32H44O4 and a molecular weight of 492.70 g/mol. Its IUPAC name is [2,4-dimethyl-4-[4-[4-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]pentan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2,4-dimethyl-4-[4-[4-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]pentan-2-yl] 2-methylprop-2-enoate
PubChem CID142284351
Molecular FormulaC32H44O4
Molecular Weight492.70 g/mol
Exact Mass492.32
IUPAC Name[2,4-dimethyl-4-[4-[4-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]pentan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)CC(C)(C)Oc1ccc(C2CCC(c3ccc(OC(C)C)cc3)CC2)cc1
InChIInChI=1S/C32H44O4/c1-22(2)30(33)36-32(7,8)21-31(5,6)35-29-19-15-27(16-20-29)25-11-9-24(10-12-25)26-13-17-28(18-14-26)34-23(3)4/h13-20,23-25H,1,9-12,21H2,2-8H3
InChIKeyLEFQDUDYOMEPMN-UHFFFAOYSA-N
XLogP8.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.70
LogP ≤ 58.36
H-Bond Donors ≤ 50
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 [2,4-dimethyl-4-[4-[4-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]pentan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [2,4-dimethyl-4-[4-[4-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]pentan-2-yl] 2-methylprop-2-enoate (CID 142284351) is [2,4-dimethyl-4-[4-[4-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]pentan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [2,4-dimethyl-4-[4-[4-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]pentan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [2,4-dimethyl-4-[4-[4-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]pentan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)CC(C)(C)Oc1ccc(C2CCC(c3ccc(OC(C)C)cc3)CC2)cc1.
What is the InChIKey of [2,4-dimethyl-4-[4-[4-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]pentan-2-yl] 2-methylprop-2-enoate?
The InChIKey is LEFQDUDYOMEPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44O4/c1-22(2)30(33)36-32(7,8)21-31(5,6)35-29-19-15-27(16-20-29)25-11-9-24(10-12-25)26-13-17-28(18-14-26)34-23(3)4/h13-20,23-25H,1,9-12,21H2,2-8H3.
What are the key properties of [2,4-dimethyl-4-[4-[4-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]pentan-2-yl] 2-methylprop-2-enoate?
[2,4-dimethyl-4-[4-[4-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]pentan-2-yl] 2-methylprop-2-enoate has a molecular weight of 492.70 g/mol, XLogP of 8.36, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dimethyl-4-[4-[4-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]pentan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 142284351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).