5-[cyclohexylidene-[4-methoxy-3-(methoxymethoxy)phenyl]methyl]-1,2,3-trimethoxybenzene

C25H32O6 — CID 102045276

IUPAC5-[cyclohexylidene-[4-methoxy-3-(methoxymethoxy)phenyl]methyl]-1,2,3-trimethoxybenzene
SMILESCOCOc1cc(C(=C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C25H32O6/c1-26-16-31-21-13-18(11-12-20(21)27-2)24(17-9-7-6-8-10-17)19-14-22(28-3)25(30-5)23(15-19)29-4/h11-15H,6-10,16H2,1-5H3
InChIKeyIRPWEUIAUKLZQJ-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.47
Rot. Bonds9

About 5-[cyclohexylidene-[4-methoxy-3-(methoxymethoxy)phenyl]methyl]-1,2,3-trimethoxybenzene

5-[cyclohexylidene-[4-methoxy-3-(methoxymethoxy)phenyl]methyl]-1,2,3-trimethoxybenzene (PubChem CID 102045276) has the molecular formula C25H32O6 and a molecular weight of 428.53 g/mol. Its IUPAC name is 5-[cyclohexylidene-[4-methoxy-3-(methoxymethoxy)phenyl]methyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[cyclohexylidene-[4-methoxy-3-(methoxymethoxy)phenyl]methyl]-1,2,3-trimethoxybenzene
PubChem CID102045276
Molecular FormulaC25H32O6
Molecular Weight428.53 g/mol
Exact Mass428.22
IUPAC Name5-[cyclohexylidene-[4-methoxy-3-(methoxymethoxy)phenyl]methyl]-1,2,3-trimethoxybenzene
SMILESCOCOc1cc(C(=C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C25H32O6/c1-26-16-31-21-13-18(11-12-20(21)27-2)24(17-9-7-6-8-10-17)19-14-22(28-3)25(30-5)23(15-19)29-4/h11-15H,6-10,16H2,1-5H3
InChIKeyIRPWEUIAUKLZQJ-UHFFFAOYSA-N
XLogP5.47
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexylidene-[4-methoxy-3-(methoxymethoxy)phenyl]methyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[cyclohexylidene-[4-methoxy-3-(methoxymethoxy)phenyl]methyl]-1,2,3-trimethoxybenzene (CID 102045276) is 5-[cyclohexylidene-[4-methoxy-3-(methoxymethoxy)phenyl]methyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[cyclohexylidene-[4-methoxy-3-(methoxymethoxy)phenyl]methyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[cyclohexylidene-[4-methoxy-3-(methoxymethoxy)phenyl]methyl]-1,2,3-trimethoxybenzene is COCOc1cc(C(=C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)ccc1OC.
What is the InChIKey of 5-[cyclohexylidene-[4-methoxy-3-(methoxymethoxy)phenyl]methyl]-1,2,3-trimethoxybenzene?
The InChIKey is IRPWEUIAUKLZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O6/c1-26-16-31-21-13-18(11-12-20(21)27-2)24(17-9-7-6-8-10-17)19-14-22(28-3)25(30-5)23(15-19)29-4/h11-15H,6-10,16H2,1-5H3.
What are the key properties of 5-[cyclohexylidene-[4-methoxy-3-(methoxymethoxy)phenyl]methyl]-1,2,3-trimethoxybenzene?
5-[cyclohexylidene-[4-methoxy-3-(methoxymethoxy)phenyl]methyl]-1,2,3-trimethoxybenzene has a molecular weight of 428.53 g/mol, XLogP of 5.47, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexylidene-[4-methoxy-3-(methoxymethoxy)phenyl]methyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 102045276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).