1-[4,4-bis(methoxymethyl)-2-methylidenecyclopentyl]-3-methylbutan-2-one

C15H26O3 — CID 10944984

IUPAC1-[4,4-bis(methoxymethyl)-2-methylidenecyclopentyl]-3-methylbutan-2-one
SMILESC=C1CC(COC)(COC)CC1CC(=O)C(C)C
InChIInChI=1S/C15H26O3/c1-11(2)14(16)6-13-8-15(9-17-4,10-18-5)7-12(13)3/h11,13H,3,6-10H2,1-2,4-5H3
InChIKeyJBSLXLDKZRCFBG-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.85
Rot. Bonds7

About 1-[4,4-bis(methoxymethyl)-2-methylidenecyclopentyl]-3-methylbutan-2-one

1-[4,4-bis(methoxymethyl)-2-methylidenecyclopentyl]-3-methylbutan-2-one (PubChem CID 10944984) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[4,4-bis(methoxymethyl)-2-methylidenecyclopentyl]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[4,4-bis(methoxymethyl)-2-methylidenecyclopentyl]-3-methylbutan-2-one
PubChem CID10944984
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name1-[4,4-bis(methoxymethyl)-2-methylidenecyclopentyl]-3-methylbutan-2-one
SMILESC=C1CC(COC)(COC)CC1CC(=O)C(C)C
InChIInChI=1S/C15H26O3/c1-11(2)14(16)6-13-8-15(9-17-4,10-18-5)7-12(13)3/h11,13H,3,6-10H2,1-2,4-5H3
InChIKeyJBSLXLDKZRCFBG-UHFFFAOYSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4,4-bis(methoxymethyl)-2-methylidenecyclopentyl]-3-methylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(methoxymethyl)-2-methylidenecyclopentyl]-3-methylbutan-2-one?
The IUPAC name of 1-[4,4-bis(methoxymethyl)-2-methylidenecyclopentyl]-3-methylbutan-2-one (CID 10944984) is 1-[4,4-bis(methoxymethyl)-2-methylidenecyclopentyl]-3-methylbutan-2-one.
What is the SMILES notation for 1-[4,4-bis(methoxymethyl)-2-methylidenecyclopentyl]-3-methylbutan-2-one?
The canonical SMILES for 1-[4,4-bis(methoxymethyl)-2-methylidenecyclopentyl]-3-methylbutan-2-one is C=C1CC(COC)(COC)CC1CC(=O)C(C)C.
What is the InChIKey of 1-[4,4-bis(methoxymethyl)-2-methylidenecyclopentyl]-3-methylbutan-2-one?
The InChIKey is JBSLXLDKZRCFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-11(2)14(16)6-13-8-15(9-17-4,10-18-5)7-12(13)3/h11,13H,3,6-10H2,1-2,4-5H3.
What are the key properties of 1-[4,4-bis(methoxymethyl)-2-methylidenecyclopentyl]-3-methylbutan-2-one?
1-[4,4-bis(methoxymethyl)-2-methylidenecyclopentyl]-3-methylbutan-2-one has a molecular weight of 254.37 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(methoxymethyl)-2-methylidenecyclopentyl]-3-methylbutan-2-one is sourced from PubChem (CID 10944984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).