2-methyl-5-[2-[3-[2-(5-methyl-3,4-dihydro-2H-pyran-2-yl)ethyl]-3,4-dihydro-2H-pyran-6-yl]ethyl]-3,6-dihydro-2H-pyran

C21H32O3 — CID 134488593

IUPAC2-methyl-5-[2-[3-[2-(5-methyl-3,4-dihydro-2H-pyran-2-yl)ethyl]-3,4-dihydro-2H-pyran-6-yl]ethyl]-3,6-dihydro-2H-pyran
SMILESCC1=COC(CCC2CC=C(CCC3=CCC(C)OC3)OC2)CC1
InChIInChI=1S/C21H32O3/c1-16-3-9-20(23-13-16)10-7-19-8-12-21(24-15-19)11-6-18-5-4-17(2)22-14-18/h5,12-13,17,19-20H,3-4,6-11,14-15H2,1-2H3
InChIKeyPWEJZTULEGTREL-UHFFFAOYSA-N
MW332.48 g/mol
LogP5.29
Rot. Bonds6

About 2-methyl-5-[2-[3-[2-(5-methyl-3,4-dihydro-2H-pyran-2-yl)ethyl]-3,4-dihydro-2H-pyran-6-yl]ethyl]-3,6-dihydro-2H-pyran

2-methyl-5-[2-[3-[2-(5-methyl-3,4-dihydro-2H-pyran-2-yl)ethyl]-3,4-dihydro-2H-pyran-6-yl]ethyl]-3,6-dihydro-2H-pyran (PubChem CID 134488593) has the molecular formula C21H32O3 and a molecular weight of 332.48 g/mol. Its IUPAC name is 2-methyl-5-[2-[3-[2-(5-methyl-3,4-dihydro-2H-pyran-2-yl)ethyl]-3,4-dihydro-2H-pyran-6-yl]ethyl]-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-methyl-5-[2-[3-[2-(5-methyl-3,4-dihydro-2H-pyran-2-yl)ethyl]-3,4-dihydro-2H-pyran-6-yl]ethyl]-3,6-dihydro-2H-pyran
PubChem CID134488593
Molecular FormulaC21H32O3
Molecular Weight332.48 g/mol
Exact Mass332.24
IUPAC Name2-methyl-5-[2-[3-[2-(5-methyl-3,4-dihydro-2H-pyran-2-yl)ethyl]-3,4-dihydro-2H-pyran-6-yl]ethyl]-3,6-dihydro-2H-pyran
SMILESCC1=COC(CCC2CC=C(CCC3=CCC(C)OC3)OC2)CC1
InChIInChI=1S/C21H32O3/c1-16-3-9-20(23-13-16)10-7-19-8-12-21(24-15-19)11-6-18-5-4-17(2)22-14-18/h5,12-13,17,19-20H,3-4,6-11,14-15H2,1-2H3
InChIKeyPWEJZTULEGTREL-UHFFFAOYSA-N
XLogP5.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.48
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[2-[3-[2-(5-methyl-3,4-dihydro-2H-pyran-2-yl)ethyl]-3,4-dihydro-2H-pyran-6-yl]ethyl]-3,6-dihydro-2H-pyran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[3-[2-(5-methyl-3,4-dihydro-2H-pyran-2-yl)ethyl]-3,4-dihydro-2H-pyran-6-yl]ethyl]-3,6-dihydro-2H-pyran?
The IUPAC name of 2-methyl-5-[2-[3-[2-(5-methyl-3,4-dihydro-2H-pyran-2-yl)ethyl]-3,4-dihydro-2H-pyran-6-yl]ethyl]-3,6-dihydro-2H-pyran (CID 134488593) is 2-methyl-5-[2-[3-[2-(5-methyl-3,4-dihydro-2H-pyran-2-yl)ethyl]-3,4-dihydro-2H-pyran-6-yl]ethyl]-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-methyl-5-[2-[3-[2-(5-methyl-3,4-dihydro-2H-pyran-2-yl)ethyl]-3,4-dihydro-2H-pyran-6-yl]ethyl]-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-methyl-5-[2-[3-[2-(5-methyl-3,4-dihydro-2H-pyran-2-yl)ethyl]-3,4-dihydro-2H-pyran-6-yl]ethyl]-3,6-dihydro-2H-pyran is CC1=COC(CCC2CC=C(CCC3=CCC(C)OC3)OC2)CC1.
What is the InChIKey of 2-methyl-5-[2-[3-[2-(5-methyl-3,4-dihydro-2H-pyran-2-yl)ethyl]-3,4-dihydro-2H-pyran-6-yl]ethyl]-3,6-dihydro-2H-pyran?
The InChIKey is PWEJZTULEGTREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O3/c1-16-3-9-20(23-13-16)10-7-19-8-12-21(24-15-19)11-6-18-5-4-17(2)22-14-18/h5,12-13,17,19-20H,3-4,6-11,14-15H2,1-2H3.
What are the key properties of 2-methyl-5-[2-[3-[2-(5-methyl-3,4-dihydro-2H-pyran-2-yl)ethyl]-3,4-dihydro-2H-pyran-6-yl]ethyl]-3,6-dihydro-2H-pyran?
2-methyl-5-[2-[3-[2-(5-methyl-3,4-dihydro-2H-pyran-2-yl)ethyl]-3,4-dihydro-2H-pyran-6-yl]ethyl]-3,6-dihydro-2H-pyran has a molecular weight of 332.48 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[3-[2-(5-methyl-3,4-dihydro-2H-pyran-2-yl)ethyl]-3,4-dihydro-2H-pyran-6-yl]ethyl]-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134488593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).