1-methyl-2-methylidene-4,4-bis(phenylmethoxymethyl)cyclopentane-1-carbaldehyde

C24H28O3 — CID 75578750

IUPAC1-methyl-2-methylidene-4,4-bis(phenylmethoxymethyl)cyclopentane-1-carbaldehyde
SMILESC=C1CC(COCc2ccccc2)(COCc2ccccc2)CC1(C)C=O
InChIInChI=1S/C24H28O3/c1-20-13-24(16-23(20,2)17-25,18-26-14-21-9-5-3-6-10-21)19-27-15-22-11-7-4-8-12-22/h3-12,17H,1,13-16,18-19H2,2H3
InChIKeyLTDUZDWDHIGSBV-UHFFFAOYSA-N
MW364.48 g/mol
LogP4.96
Rot. Bonds9

About 1-methyl-2-methylidene-4,4-bis(phenylmethoxymethyl)cyclopentane-1-carbaldehyde

1-methyl-2-methylidene-4,4-bis(phenylmethoxymethyl)cyclopentane-1-carbaldehyde (PubChem CID 75578750) has the molecular formula C24H28O3 and a molecular weight of 364.48 g/mol. Its IUPAC name is 1-methyl-2-methylidene-4,4-bis(phenylmethoxymethyl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-methyl-2-methylidene-4,4-bis(phenylmethoxymethyl)cyclopentane-1-carbaldehyde
PubChem CID75578750
Molecular FormulaC24H28O3
Molecular Weight364.48 g/mol
Exact Mass364.20
IUPAC Name1-methyl-2-methylidene-4,4-bis(phenylmethoxymethyl)cyclopentane-1-carbaldehyde
SMILESC=C1CC(COCc2ccccc2)(COCc2ccccc2)CC1(C)C=O
InChIInChI=1S/C24H28O3/c1-20-13-24(16-23(20,2)17-25,18-26-14-21-9-5-3-6-10-21)19-27-15-22-11-7-4-8-12-22/h3-12,17H,1,13-16,18-19H2,2H3
InChIKeyLTDUZDWDHIGSBV-UHFFFAOYSA-N
XLogP4.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylidene-4,4-bis(phenylmethoxymethyl)cyclopentane-1-carbaldehyde?
The IUPAC name of 1-methyl-2-methylidene-4,4-bis(phenylmethoxymethyl)cyclopentane-1-carbaldehyde (CID 75578750) is 1-methyl-2-methylidene-4,4-bis(phenylmethoxymethyl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-methyl-2-methylidene-4,4-bis(phenylmethoxymethyl)cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-methyl-2-methylidene-4,4-bis(phenylmethoxymethyl)cyclopentane-1-carbaldehyde is C=C1CC(COCc2ccccc2)(COCc2ccccc2)CC1(C)C=O.
What is the InChIKey of 1-methyl-2-methylidene-4,4-bis(phenylmethoxymethyl)cyclopentane-1-carbaldehyde?
The InChIKey is LTDUZDWDHIGSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O3/c1-20-13-24(16-23(20,2)17-25,18-26-14-21-9-5-3-6-10-21)19-27-15-22-11-7-4-8-12-22/h3-12,17H,1,13-16,18-19H2,2H3.
What are the key properties of 1-methyl-2-methylidene-4,4-bis(phenylmethoxymethyl)cyclopentane-1-carbaldehyde?
1-methyl-2-methylidene-4,4-bis(phenylmethoxymethyl)cyclopentane-1-carbaldehyde has a molecular weight of 364.48 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylidene-4,4-bis(phenylmethoxymethyl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 75578750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).