2-[(2R,6R)-2-[(E,2S,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethyl-10-hydroxy-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid

C26H42O6 — CID 89313870

IUPAC2-[(2R,6R)-2-[(E,2S,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethyl-10-hydroxy-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid
SMILESC=C(CC(/C=C/C[C@@H](O)[C@@H]1COC(C)(C)O1)CC)C[C@H](C)C[C@@H]1CC=C[C@@H](CC(=O)O)O1
InChIInChI=1S/C26H42O6/c1-6-20(9-7-12-23(27)24-17-30-26(4,5)32-24)14-18(2)13-19(3)15-21-10-8-11-22(31-21)16-25(28)29/h7-9,11,19-24,27H,2,6,10,12-17H2,1,3-5H3,(H,28,29)/b9-7+/t19-,20?,21-,22-,23+,24-/m0/s1
InChIKeyQMQGSIIKQLFERK-ZKGKUYDQSA-N
MW450.62 g/mol
LogP5.02
Rot. Bonds13

About 2-[(2R,6R)-2-[(E,2S,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethyl-10-hydroxy-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid

2-[(2R,6R)-2-[(E,2S,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethyl-10-hydroxy-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid (PubChem CID 89313870) has the molecular formula C26H42O6 and a molecular weight of 450.62 g/mol. Its IUPAC name is 2-[(2R,6R)-2-[(E,2S,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethyl-10-hydroxy-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,6R)-2-[(E,2S,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethyl-10-hydroxy-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid
PubChem CID89313870
Molecular FormulaC26H42O6
Molecular Weight450.62 g/mol
Exact Mass450.30
IUPAC Name2-[(2R,6R)-2-[(E,2S,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethyl-10-hydroxy-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid
SMILESC=C(CC(/C=C/C[C@@H](O)[C@@H]1COC(C)(C)O1)CC)C[C@H](C)C[C@@H]1CC=C[C@@H](CC(=O)O)O1
InChIInChI=1S/C26H42O6/c1-6-20(9-7-12-23(27)24-17-30-26(4,5)32-24)14-18(2)13-19(3)15-21-10-8-11-22(31-21)16-25(28)29/h7-9,11,19-24,27H,2,6,10,12-17H2,1,3-5H3,(H,28,29)/b9-7+/t19-,20?,21-,22-,23+,24-/m0/s1
InChIKeyQMQGSIIKQLFERK-ZKGKUYDQSA-N
XLogP5.02
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2R,6R)-2-[(E,2S,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethyl-10-hydroxy-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2-[(E,2S,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethyl-10-hydroxy-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid?
The IUPAC name of 2-[(2R,6R)-2-[(E,2S,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethyl-10-hydroxy-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid (CID 89313870) is 2-[(2R,6R)-2-[(E,2S,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethyl-10-hydroxy-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid.
What is the SMILES notation for 2-[(2R,6R)-2-[(E,2S,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethyl-10-hydroxy-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid?
The canonical SMILES for 2-[(2R,6R)-2-[(E,2S,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethyl-10-hydroxy-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid is C=C(CC(/C=C/C[C@@H](O)[C@@H]1COC(C)(C)O1)CC)C[C@H](C)C[C@@H]1CC=C[C@@H](CC(=O)O)O1.
What is the InChIKey of 2-[(2R,6R)-2-[(E,2S,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethyl-10-hydroxy-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid?
The InChIKey is QMQGSIIKQLFERK-ZKGKUYDQSA-N. The full InChI is InChI=1S/C26H42O6/c1-6-20(9-7-12-23(27)24-17-30-26(4,5)32-24)14-18(2)13-19(3)15-21-10-8-11-22(31-21)16-25(28)29/h7-9,11,19-24,27H,2,6,10,12-17H2,1,3-5H3,(H,28,29)/b9-7+/t19-,20?,21-,22-,23+,24-/m0/s1.
What are the key properties of 2-[(2R,6R)-2-[(E,2S,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethyl-10-hydroxy-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid?
2-[(2R,6R)-2-[(E,2S,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethyl-10-hydroxy-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid has a molecular weight of 450.62 g/mol, XLogP of 5.02, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2-[(E,2S,10R)-10-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethyl-10-hydroxy-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetic acid is sourced from PubChem (CID 89313870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).