(3aR,5S,6aR)-5,6a-dimethyl-5-(10-phenyldecyl)-3a,6-dihydro-3H-furo[3,2-b]furan-2-one

C24H36O3 — CID 10248725

IUPAC(3aR,5S,6aR)-5,6a-dimethyl-5-(10-phenyldecyl)-3a,6-dihydro-3H-furo[3,2-b]furan-2-one
SMILESC[C@]1(CCCCCCCCCCc2ccccc2)C[C@@]2(C)OC(=O)C[C@H]2O1
InChIInChI=1S/C24H36O3/c1-23(19-24(2)21(26-23)18-22(25)27-24)17-13-8-6-4-3-5-7-10-14-20-15-11-9-12-16-20/h9,11-12,15-16,21H,3-8,10,13-14,17-19H2,1-2H3/t21-,23+,24-/m1/s1
InChIKeyPGZGTNDHESKDJB-YFNKSVMNSA-N
MW372.55 g/mol
LogP5.99
Rot. Bonds11

About (3aR,5S,6aR)-5,6a-dimethyl-5-(10-phenyldecyl)-3a,6-dihydro-3H-furo[3,2-b]furan-2-one

(3aR,5S,6aR)-5,6a-dimethyl-5-(10-phenyldecyl)-3a,6-dihydro-3H-furo[3,2-b]furan-2-one (PubChem CID 10248725) has the molecular formula C24H36O3 and a molecular weight of 372.55 g/mol. Its IUPAC name is (3aR,5S,6aR)-5,6a-dimethyl-5-(10-phenyldecyl)-3a,6-dihydro-3H-furo[3,2-b]furan-2-one.

Molecular Properties

Compound Name(3aR,5S,6aR)-5,6a-dimethyl-5-(10-phenyldecyl)-3a,6-dihydro-3H-furo[3,2-b]furan-2-one
PubChem CID10248725
Molecular FormulaC24H36O3
Molecular Weight372.55 g/mol
Exact Mass372.27
IUPAC Name(3aR,5S,6aR)-5,6a-dimethyl-5-(10-phenyldecyl)-3a,6-dihydro-3H-furo[3,2-b]furan-2-one
SMILESC[C@]1(CCCCCCCCCCc2ccccc2)C[C@@]2(C)OC(=O)C[C@H]2O1
InChIInChI=1S/C24H36O3/c1-23(19-24(2)21(26-23)18-22(25)27-24)17-13-8-6-4-3-5-7-10-14-20-15-11-9-12-16-20/h9,11-12,15-16,21H,3-8,10,13-14,17-19H2,1-2H3/t21-,23+,24-/m1/s1
InChIKeyPGZGTNDHESKDJB-YFNKSVMNSA-N
XLogP5.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3aR,5S,6aR)-5,6a-dimethyl-5-(10-phenyldecyl)-3a,6-dihydro-3H-furo[3,2-b]furan-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

Related Compounds

3-[(3R,6S)-3,6-dimethyl-6-(8-phenyloctyl)dioxan-3-yl]propanoic acid
CID 10090963
(4R,5R)-4-hydroxy-5-[(2S)-2-hydroxy-2-methyl-12-phenyldodecyl]-5-methyloxolan-2-one
CID 71619110
2,6,6-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-one
CID 71368033
3,4a-dimethyl-3-[(4E,6E)-2,4,6-trimethyl-8-phenylocta-4,6-dienyl]-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one
CID 23424627
(4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one
CID 131860744
5-methyl-5-(3-phenylpropyl)-1,3-dioxane-4,6-dione
CID 118947181
4-phenylbutylbenzene
CID 141301927
4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 15019172
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
5,5-dimethyl-2-(3-phenylpropyl)cyclohexane-1,3-dione
CID 134953358

Frequently Asked Questions

What is the IUPAC name of (3aR,5S,6aR)-5,6a-dimethyl-5-(10-phenyldecyl)-3a,6-dihydro-3H-furo[3,2-b]furan-2-one?
The IUPAC name of (3aR,5S,6aR)-5,6a-dimethyl-5-(10-phenyldecyl)-3a,6-dihydro-3H-furo[3,2-b]furan-2-one (CID 10248725) is (3aR,5S,6aR)-5,6a-dimethyl-5-(10-phenyldecyl)-3a,6-dihydro-3H-furo[3,2-b]furan-2-one.
What is the SMILES notation for (3aR,5S,6aR)-5,6a-dimethyl-5-(10-phenyldecyl)-3a,6-dihydro-3H-furo[3,2-b]furan-2-one?
The canonical SMILES for (3aR,5S,6aR)-5,6a-dimethyl-5-(10-phenyldecyl)-3a,6-dihydro-3H-furo[3,2-b]furan-2-one is C[C@]1(CCCCCCCCCCc2ccccc2)C[C@@]2(C)OC(=O)C[C@H]2O1.
What is the InChIKey of (3aR,5S,6aR)-5,6a-dimethyl-5-(10-phenyldecyl)-3a,6-dihydro-3H-furo[3,2-b]furan-2-one?
The InChIKey is PGZGTNDHESKDJB-YFNKSVMNSA-N. The full InChI is InChI=1S/C24H36O3/c1-23(19-24(2)21(26-23)18-22(25)27-24)17-13-8-6-4-3-5-7-10-14-20-15-11-9-12-16-20/h9,11-12,15-16,21H,3-8,10,13-14,17-19H2,1-2H3/t21-,23+,24-/m1/s1.
What are the key properties of (3aR,5S,6aR)-5,6a-dimethyl-5-(10-phenyldecyl)-3a,6-dihydro-3H-furo[3,2-b]furan-2-one?
(3aR,5S,6aR)-5,6a-dimethyl-5-(10-phenyldecyl)-3a,6-dihydro-3H-furo[3,2-b]furan-2-one has a molecular weight of 372.55 g/mol, XLogP of 5.99, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5S,6aR)-5,6a-dimethyl-5-(10-phenyldecyl)-3a,6-dihydro-3H-furo[3,2-b]furan-2-one is sourced from PubChem (CID 10248725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).