(3R)-4-methoxy-3-[4-methoxy-4-(1-methylcyclobutyl)butyl]-2-methylidenecyclopentan-1-one

C17H28O3 — CID 59962730

IUPAC(3R)-4-methoxy-3-[4-methoxy-4-(1-methylcyclobutyl)butyl]-2-methylidenecyclopentan-1-one
SMILESC=C1C(=O)CC(OC)[C@@H]1CCCC(OC)C1(C)CCC1
InChIInChI=1S/C17H28O3/c1-12-13(15(19-3)11-14(12)18)7-5-8-16(20-4)17(2)9-6-10-17/h13,15-16H,1,5-11H2,2-4H3/t13-,15?,16?/m1/s1
InChIKeyGVZYELNTKPUNRZ-IUDNXUCKSA-N
MW280.41 g/mol
LogP3.52
Rot. Bonds7

About (3R)-4-methoxy-3-[4-methoxy-4-(1-methylcyclobutyl)butyl]-2-methylidenecyclopentan-1-one

(3R)-4-methoxy-3-[4-methoxy-4-(1-methylcyclobutyl)butyl]-2-methylidenecyclopentan-1-one (PubChem CID 59962730) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is (3R)-4-methoxy-3-[4-methoxy-4-(1-methylcyclobutyl)butyl]-2-methylidenecyclopentan-1-one.

Molecular Properties

Compound Name(3R)-4-methoxy-3-[4-methoxy-4-(1-methylcyclobutyl)butyl]-2-methylidenecyclopentan-1-one
PubChem CID59962730
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name(3R)-4-methoxy-3-[4-methoxy-4-(1-methylcyclobutyl)butyl]-2-methylidenecyclopentan-1-one
SMILESC=C1C(=O)CC(OC)[C@@H]1CCCC(OC)C1(C)CCC1
InChIInChI=1S/C17H28O3/c1-12-13(15(19-3)11-14(12)18)7-5-8-16(20-4)17(2)9-6-10-17/h13,15-16H,1,5-11H2,2-4H3/t13-,15?,16?/m1/s1
InChIKeyGVZYELNTKPUNRZ-IUDNXUCKSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-Methoxy-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one
CID 15550443
2-Cyclobutyl-1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one
CID 130696822

Frequently Asked Questions

What is the IUPAC name of (3R)-4-methoxy-3-[4-methoxy-4-(1-methylcyclobutyl)butyl]-2-methylidenecyclopentan-1-one?
The IUPAC name of (3R)-4-methoxy-3-[4-methoxy-4-(1-methylcyclobutyl)butyl]-2-methylidenecyclopentan-1-one (CID 59962730) is (3R)-4-methoxy-3-[4-methoxy-4-(1-methylcyclobutyl)butyl]-2-methylidenecyclopentan-1-one.
What is the SMILES notation for (3R)-4-methoxy-3-[4-methoxy-4-(1-methylcyclobutyl)butyl]-2-methylidenecyclopentan-1-one?
The canonical SMILES for (3R)-4-methoxy-3-[4-methoxy-4-(1-methylcyclobutyl)butyl]-2-methylidenecyclopentan-1-one is C=C1C(=O)CC(OC)[C@@H]1CCCC(OC)C1(C)CCC1.
What is the InChIKey of (3R)-4-methoxy-3-[4-methoxy-4-(1-methylcyclobutyl)butyl]-2-methylidenecyclopentan-1-one?
The InChIKey is GVZYELNTKPUNRZ-IUDNXUCKSA-N. The full InChI is InChI=1S/C17H28O3/c1-12-13(15(19-3)11-14(12)18)7-5-8-16(20-4)17(2)9-6-10-17/h13,15-16H,1,5-11H2,2-4H3/t13-,15?,16?/m1/s1.
What are the key properties of (3R)-4-methoxy-3-[4-methoxy-4-(1-methylcyclobutyl)butyl]-2-methylidenecyclopentan-1-one?
(3R)-4-methoxy-3-[4-methoxy-4-(1-methylcyclobutyl)butyl]-2-methylidenecyclopentan-1-one has a molecular weight of 280.41 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methoxy-3-[4-methoxy-4-(1-methylcyclobutyl)butyl]-2-methylidenecyclopentan-1-one is sourced from PubChem (CID 59962730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).