1-[(1R,3R)-3-[methoxy(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one

C14H28O2Si — CID 10515261

IUPAC1-[(1R,3R)-3-[methoxy(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one
SMILESCO[Si](C)(C)[C@@H]1CC[C@@H](C(=O)CC(C)(C)C)C1
InChIInChI=1S/C14H28O2Si/c1-14(2,3)10-13(15)11-7-8-12(9-11)17(5,6)16-4/h11-12H,7-10H2,1-6H3/t11-,12-/m1/s1
InChIKeyNTJRXGMQQJWDIX-VXGBXAGGSA-N
MW256.46 g/mol
LogP4.01
Rot. Bonds4

About 1-[(1R,3R)-3-[methoxy(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one

1-[(1R,3R)-3-[methoxy(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one (PubChem CID 10515261) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 1-[(1R,3R)-3-[methoxy(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[(1R,3R)-3-[methoxy(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one
PubChem CID10515261
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name1-[(1R,3R)-3-[methoxy(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one
SMILESCO[Si](C)(C)[C@@H]1CC[C@@H](C(=O)CC(C)(C)C)C1
InChIInChI=1S/C14H28O2Si/c1-14(2,3)10-13(15)11-7-8-12(9-11)17(5,6)16-4/h11-12H,7-10H2,1-6H3/t11-,12-/m1/s1
InChIKeyNTJRXGMQQJWDIX-VXGBXAGGSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1R,3R)-3-[methoxy(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-hydroxycyclopentyl)-3,3-dimethylbutan-1-one
CID 85212992
1-[(1S,3S)-3-hydroxycyclopentyl]-3,3-dimethylbutan-1-one
CID 15781023
3,3-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)butan-1-one
CID 171938541
3-amino-1-(3,4-dimethylcyclohexyl)-3-methylbutan-1-one
CID 116581016
1-[(4Z)-cyclooct-4-en-1-yl]-3,3-dimethylbutan-1-one
CID 58281125
3,3-dimethyl-1-(1-propan-2-ylazetidin-3-yl)butan-1-one
CID 59216544
1-cycloheptyl-3-methoxy-3-methylbutan-1-one
CID 103023457
cis-methyl (1R,3S)-3-trihexylsilylcyclopentane-1-carboxylate
CID 102370573
4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one
CID 65402131
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 13173315
4-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-one
CID 103035343

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-3-[methoxy(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[(1R,3R)-3-[methoxy(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one (CID 10515261) is 1-[(1R,3R)-3-[methoxy(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[(1R,3R)-3-[methoxy(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[(1R,3R)-3-[methoxy(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one is CO[Si](C)(C)[C@@H]1CC[C@@H](C(=O)CC(C)(C)C)C1.
What is the InChIKey of 1-[(1R,3R)-3-[methoxy(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one?
The InChIKey is NTJRXGMQQJWDIX-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-14(2,3)10-13(15)11-7-8-12(9-11)17(5,6)16-4/h11-12H,7-10H2,1-6H3/t11-,12-/m1/s1.
What are the key properties of 1-[(1R,3R)-3-[methoxy(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one?
1-[(1R,3R)-3-[methoxy(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one has a molecular weight of 256.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-3-[methoxy(dimethyl)silyl]cyclopentyl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 10515261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).