(2R)-2-[(1S,2S)-2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]-2,5-dimethylcyclopentan-1-one

C17H30O3 — CID 154720459

IUPAC(2R)-2-[(1S,2S)-2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]-2,5-dimethylcyclopentan-1-one
SMILESCOC(OC)[C@H]1CC(C)(C)C[C@@H]1[C@@]1(C)CCC(C)C1=O
InChIInChI=1S/C17H30O3/c1-11-7-8-17(4,14(11)18)13-10-16(2,3)9-12(13)15(19-5)20-6/h11-13,15H,7-10H2,1-6H3/t11?,12-,13-,17+/m0/s1
InChIKeyLGHOWWMSNCAZGA-WLRYYPKHSA-N
MW282.42 g/mol
LogP3.66
Rot. Bonds4

About (2R)-2-[(1S,2S)-2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]-2,5-dimethylcyclopentan-1-one

(2R)-2-[(1S,2S)-2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]-2,5-dimethylcyclopentan-1-one (PubChem CID 154720459) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (2R)-2-[(1S,2S)-2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]-2,5-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-[(1S,2S)-2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]-2,5-dimethylcyclopentan-1-one
PubChem CID154720459
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(2R)-2-[(1S,2S)-2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]-2,5-dimethylcyclopentan-1-one
SMILESCOC(OC)[C@H]1CC(C)(C)C[C@@H]1[C@@]1(C)CCC(C)C1=O
InChIInChI=1S/C17H30O3/c1-11-7-8-17(4,14(11)18)13-10-16(2,3)9-12(13)15(19-5)20-6/h11-13,15H,7-10H2,1-6H3/t11?,12-,13-,17+/m0/s1
InChIKeyLGHOWWMSNCAZGA-WLRYYPKHSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,3aR,7aR)-1-[(1S)-2,2-Dimethoxy-1-methylethyl]octahydro-7a-methyl-4H-inden-4-one
CID 59153470
(1r,4s)-2-((2,2,4-Trimethyl-3-oxocyclopentyl)methyl)-1,3-dioxolan
CID 15143303
(1r,4r)-2-((2,2,4-Trimethyl-3-oxocyclopentyl)methyl)-1,3-dioxolan
CID 15143304
3-[(1,3-Dioxolan-2-yl)methyl]-2,2,5-trimethylcyclopentan-1-one
CID 15143305
(3aS,4S,6aR)-4-(methoxymethoxymethyl)-4,6a-dimethyl-3,3a,5,6-tetrahydro-1H-pentalen-2-one
CID 162402683
(3aS,4R,6aR)-4-(methoxymethoxymethyl)-4,6a-dimethyl-3,3a,5,6-tetrahydro-1H-pentalen-2-one
CID 162402684
3a-(2,2-Dimethoxyethyl)hexahydro-1,5-pentalenedione
CID 554398
1-[2-(Dimethoxymethyl)-4,4-dimethylcyclopentyl]ethanone
CID 14980058
3-(Dimethoxymethyl)-2-pentylcyclopentan-1-one
CID 22184376
Cyclopentyloxymethyl 2,4-diethylcyclopentane-1-carboxylate
CID 57783402
1-[2-(2-Methoxyethyl)-5-methylcyclopentyl]-3,3-dimethylbutan-1-one
CID 67334772
1-[2-(2,2-Diethoxyethyl)cyclopentyl]-3,3-dimethylbutan-1-one
CID 67442584

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S,2S)-2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]-2,5-dimethylcyclopentan-1-one?
The IUPAC name of (2R)-2-[(1S,2S)-2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]-2,5-dimethylcyclopentan-1-one (CID 154720459) is (2R)-2-[(1S,2S)-2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]-2,5-dimethylcyclopentan-1-one.
What is the SMILES notation for (2R)-2-[(1S,2S)-2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]-2,5-dimethylcyclopentan-1-one?
The canonical SMILES for (2R)-2-[(1S,2S)-2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]-2,5-dimethylcyclopentan-1-one is COC(OC)[C@H]1CC(C)(C)C[C@@H]1[C@@]1(C)CCC(C)C1=O.
What is the InChIKey of (2R)-2-[(1S,2S)-2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]-2,5-dimethylcyclopentan-1-one?
The InChIKey is LGHOWWMSNCAZGA-WLRYYPKHSA-N. The full InChI is InChI=1S/C17H30O3/c1-11-7-8-17(4,14(11)18)13-10-16(2,3)9-12(13)15(19-5)20-6/h11-13,15H,7-10H2,1-6H3/t11?,12-,13-,17+/m0/s1.
What are the key properties of (2R)-2-[(1S,2S)-2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]-2,5-dimethylcyclopentan-1-one?
(2R)-2-[(1S,2S)-2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]-2,5-dimethylcyclopentan-1-one has a molecular weight of 282.42 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S,2S)-2-(dimethoxymethyl)-4,4-dimethylcyclopentyl]-2,5-dimethylcyclopentan-1-one is sourced from PubChem (CID 154720459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).