(3R)-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2-pentylcyclopentan-1-one

C15H26O3 — CID 135039758

IUPAC(3R)-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2-pentylcyclopentan-1-one
SMILESCCCCCC1C(=O)CC[C@@H]1CC1(C)OCCO1
InChIInChI=1S/C15H26O3/c1-3-4-5-6-13-12(7-8-14(13)16)11-15(2)17-9-10-18-15/h12-13H,3-11H2,1-2H3/t12-,13?/m1/s1
InChIKeyMVIUFMCOFCHGCX-PZORYLMUSA-N
MW254.37 g/mol
LogP3.32
Rot. Bonds6

About (3R)-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2-pentylcyclopentan-1-one

(3R)-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2-pentylcyclopentan-1-one (PubChem CID 135039758) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3R)-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2-pentylcyclopentan-1-one.

Molecular Properties

Compound Name(3R)-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2-pentylcyclopentan-1-one
PubChem CID135039758
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(3R)-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2-pentylcyclopentan-1-one
SMILESCCCCCC1C(=O)CC[C@@H]1CC1(C)OCCO1
InChIInChI=1S/C15H26O3/c1-3-4-5-6-13-12(7-8-14(13)16)11-15(2)17-9-10-18-15/h12-13H,3-11H2,1-2H3/t12-,13?/m1/s1
InChIKeyMVIUFMCOFCHGCX-PZORYLMUSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2-pentylcyclopentan-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

(3'aR,6'aS)-hexahydro-1'H-spiro(1,3-dioxolane-2,2'-pentalen)-5'-one
CID 11030443
(3'S,3'aR,6'aR)-3'-methylspiro[1,3-dioxolane-2,4'-2,3,3a,5,6,6a-hexahydropentalene]-1'-one
CID 11481005
3-(2-(2-Methyl-1,3-dioxolan-2-yl)ethyl)octan-2-one
CID 25062353
spiro[1,3-dioxolane-2,1'-3,3a,4,6,7,7a-hexahydro-2H-indene]-5'-one
CID 85287811
3-[2-(1,3-Dioxolan-2-yl)ethyl]cyclopentan-1-one
CID 12452563
3-[2-Methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-2-yl]cyclopentan-1-one
CID 15122652
1-(1,4-Dioxaspiro[4.4]nonan-9-yl)butan-2-one
CID 15122653
(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
1-[(1'R,3'aS,6'aS)-3'a,6'a-dimethylspiro[1,3-dioxolane-2,5'-2,3,4,6-tetrahydro-1H-pentalene]-1'-yl]ethanone
CID 54768334
(3aR,8aS)-spiro[1,3,3a,4,5,7,8,8a-octahydroazulene-6,2'-1,3-dioxolane]-2-one
CID 71681758

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2-pentylcyclopentan-1-one?
The IUPAC name of (3R)-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2-pentylcyclopentan-1-one (CID 135039758) is (3R)-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2-pentylcyclopentan-1-one.
What is the SMILES notation for (3R)-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2-pentylcyclopentan-1-one?
The canonical SMILES for (3R)-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2-pentylcyclopentan-1-one is CCCCCC1C(=O)CC[C@@H]1CC1(C)OCCO1.
What is the InChIKey of (3R)-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2-pentylcyclopentan-1-one?
The InChIKey is MVIUFMCOFCHGCX-PZORYLMUSA-N. The full InChI is InChI=1S/C15H26O3/c1-3-4-5-6-13-12(7-8-14(13)16)11-15(2)17-9-10-18-15/h12-13H,3-11H2,1-2H3/t12-,13?/m1/s1.
What are the key properties of (3R)-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2-pentylcyclopentan-1-one?
(3R)-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2-pentylcyclopentan-1-one has a molecular weight of 254.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2-pentylcyclopentan-1-one is sourced from PubChem (CID 135039758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).