(4R)-4-[(2R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]oxolan-2-one

C25H38O4 — CID 15742629

IUPAC(4R)-4-[(2R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]oxolan-2-one
SMILESCC1=C(CC/C(C)=C/CCC2=CC[C@H]([C@H]3COC(=O)C3)OC2O)C(C)(C)CCC1
InChIInChI=1S/C25H38O4/c1-17(10-12-21-18(2)8-6-14-25(21,3)4)7-5-9-19-11-13-22(29-24(19)27)20-15-23(26)28-16-20/h7,11,20,22,24,27H,5-6,8-10,12-16H2,1-4H3/b17-7+/t20-,22-,24?/m1/s1
InChIKeyAIPOJIGVVVFLQI-MMHQBXSCSA-N
MW402.58 g/mol
LogP5.62
Rot. Bonds7

About (4R)-4-[(2R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]oxolan-2-one

(4R)-4-[(2R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]oxolan-2-one (PubChem CID 15742629) has the molecular formula C25H38O4 and a molecular weight of 402.58 g/mol. Its IUPAC name is (4R)-4-[(2R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]oxolan-2-one.

Molecular Properties

Compound Name(4R)-4-[(2R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]oxolan-2-one
PubChem CID15742629
Molecular FormulaC25H38O4
Molecular Weight402.58 g/mol
Exact Mass402.28
IUPAC Name(4R)-4-[(2R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]oxolan-2-one
SMILESCC1=C(CC/C(C)=C/CCC2=CC[C@H]([C@H]3COC(=O)C3)OC2O)C(C)(C)CCC1
InChIInChI=1S/C25H38O4/c1-17(10-12-21-18(2)8-6-14-25(21,3)4)7-5-9-19-11-13-22(29-24(19)27)20-15-23(26)28-16-20/h7,11,20,22,24,27H,5-6,8-10,12-16H2,1-4H3/b17-7+/t20-,22-,24?/m1/s1
InChIKeyAIPOJIGVVVFLQI-MMHQBXSCSA-N
XLogP5.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R)-4-[(2R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]oxolan-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

(2S)-2-hydroxy-3-[(3E,7E,11E)-4,8,12-trimethyl-14-(2,6,6-trimethylcyclohexen-1-yl)tetradeca-3,7,11-trienyl]-2H-furan-5-one
CID 163046071
2-hydroxy-3-[6-hydroxy-5-[(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one
CID 10363757
(E)-9-methyl-11-(2,6,6-trimethylcyclohexen-1-yl)undec-8-en-2-one
CID 167089610
(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-en-1-ol
CID 5372328
(6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienal
CID 165111449
(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol
CID 11042317
(E,2E)-2-ethylidene-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)oct-5-enal
CID 15381898
2-hydroxy-3-[(1E,3E,7E)-4-(hydroxymethyl)-8-methyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,7-trienyl]-2H-furan-5-one
CID 24896704
(5R)-1,3,3-trimethyl-5-nitroso-2-[(3E,7E,11E,15E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,7,11,15-tetraenyl]cyclohexene
CID 89188416
(Z)-N,N,4-trimethyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enamide
CID 10588597
fluoro (E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enoate
CID 145154298
[(3E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-3,6-dienyl]-ethoxy-dimethylsilane
CID 167424473

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]oxolan-2-one?
The IUPAC name of (4R)-4-[(2R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]oxolan-2-one (CID 15742629) is (4R)-4-[(2R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]oxolan-2-one.
What is the SMILES notation for (4R)-4-[(2R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]oxolan-2-one?
The canonical SMILES for (4R)-4-[(2R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]oxolan-2-one is CC1=C(CC/C(C)=C/CCC2=CC[C@H]([C@H]3COC(=O)C3)OC2O)C(C)(C)CCC1.
What is the InChIKey of (4R)-4-[(2R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]oxolan-2-one?
The InChIKey is AIPOJIGVVVFLQI-MMHQBXSCSA-N. The full InChI is InChI=1S/C25H38O4/c1-17(10-12-21-18(2)8-6-14-25(21,3)4)7-5-9-19-11-13-22(29-24(19)27)20-15-23(26)28-16-20/h7,11,20,22,24,27H,5-6,8-10,12-16H2,1-4H3/b17-7+/t20-,22-,24?/m1/s1.
What are the key properties of (4R)-4-[(2R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]oxolan-2-one?
(4R)-4-[(2R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]oxolan-2-one has a molecular weight of 402.58 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]oxolan-2-one is sourced from PubChem (CID 15742629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).