3,4a-dimethyl-3-(2-methyl-10-phenyldecyl)-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one

C25H38O4 — CID 85134879

IUPAC3,4a-dimethyl-3-(2-methyl-10-phenyldecyl)-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one
SMILESCC(CCCCCCCCc1ccccc1)CC1(C)CC2(C)OC(=O)CC2OO1
InChIInChI=1S/C25H38O4/c1-20(13-9-6-4-5-7-10-14-21-15-11-8-12-16-21)18-24(2)19-25(3)22(28-29-24)17-23(26)27-25/h8,11-12,15-16,20,22H,4-7,9-10,13-14,17-19H2,1-3H3
InChIKeyOWAXZSHAFBBOBX-UHFFFAOYSA-N
MW402.58 g/mol
LogP6.17
Rot. Bonds11

About 3,4a-dimethyl-3-(2-methyl-10-phenyldecyl)-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one

3,4a-dimethyl-3-(2-methyl-10-phenyldecyl)-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one (PubChem CID 85134879) has the molecular formula C25H38O4 and a molecular weight of 402.58 g/mol. Its IUPAC name is 3,4a-dimethyl-3-(2-methyl-10-phenyldecyl)-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one.

Molecular Properties

Compound Name3,4a-dimethyl-3-(2-methyl-10-phenyldecyl)-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one
PubChem CID85134879
Molecular FormulaC25H38O4
Molecular Weight402.58 g/mol
Exact Mass402.28
IUPAC Name3,4a-dimethyl-3-(2-methyl-10-phenyldecyl)-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one
SMILESCC(CCCCCCCCc1ccccc1)CC1(C)CC2(C)OC(=O)CC2OO1
InChIInChI=1S/C25H38O4/c1-20(13-9-6-4-5-7-10-14-21-15-11-8-12-16-21)18-24(2)19-25(3)22(28-29-24)17-23(26)27-25/h8,11-12,15-16,20,22H,4-7,9-10,13-14,17-19H2,1-3H3
InChIKeyOWAXZSHAFBBOBX-UHFFFAOYSA-N
XLogP6.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,4a-dimethyl-3-(2-methyl-10-phenyldecyl)-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-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

2H-Pyran-2-acetic acid, tetrahydro-6-(10-phenyldecyl)-, methyl ester
CID 5273615
(1R,5R,9R,11S)-5-(hydroxymethyl)-12,12-dimethyl-9-(6-phenylhexyl)-4,8,15-trioxabicyclo[9.3.1]pentadecane-3,7-dione
CID 168299224
2-[(3S,4S,6R)-4,6-dimethyl-6-[(2R)-2-methyl-11-phenylundecyl]dioxan-3-yl]acetic acid
CID 127043574
Plakortolide
CID 6475980
(3R,4aR,7aR)-3-[(E)-2,6-dimethyl-8-phenyl-oct-6-enyl]-7a-hydroxy-3,4a-dimethyl-4,7-dihydrofuro[3,2-c][1,2]dioxin-6-one
CID 6475981
Plakortolide G
CID 6475982
Plakortolide E
CID 6712220
Plakortolide D
CID 10047540
Plakortolide ether
CID 10248725
Plakortolide B
CID 10408826
trans-(1-acetyloxy-3-hexadecanoyloxypropan-2-yl) (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 44372196
(3R,4aS,7aS)-3,4a-dimethyl-3-(10-phenyldecyl)-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one
CID 10620329

Frequently Asked Questions

What is the IUPAC name of 3,4a-dimethyl-3-(2-methyl-10-phenyldecyl)-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one?
The IUPAC name of 3,4a-dimethyl-3-(2-methyl-10-phenyldecyl)-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one (CID 85134879) is 3,4a-dimethyl-3-(2-methyl-10-phenyldecyl)-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one.
What is the SMILES notation for 3,4a-dimethyl-3-(2-methyl-10-phenyldecyl)-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one?
The canonical SMILES for 3,4a-dimethyl-3-(2-methyl-10-phenyldecyl)-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one is CC(CCCCCCCCc1ccccc1)CC1(C)CC2(C)OC(=O)CC2OO1.
What is the InChIKey of 3,4a-dimethyl-3-(2-methyl-10-phenyldecyl)-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one?
The InChIKey is OWAXZSHAFBBOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O4/c1-20(13-9-6-4-5-7-10-14-21-15-11-8-12-16-21)18-24(2)19-25(3)22(28-29-24)17-23(26)27-25/h8,11-12,15-16,20,22H,4-7,9-10,13-14,17-19H2,1-3H3.
What are the key properties of 3,4a-dimethyl-3-(2-methyl-10-phenyldecyl)-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one?
3,4a-dimethyl-3-(2-methyl-10-phenyldecyl)-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one has a molecular weight of 402.58 g/mol, XLogP of 6.17, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4a-dimethyl-3-(2-methyl-10-phenyldecyl)-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one is sourced from PubChem (CID 85134879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).