6-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-pyran

C11H18O — CID 20732852

IUPAC6-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-pyran
SMILESCC(C)C/C=C/C1=CCCCO1
InChIInChI=1S/C11H18O/c1-10(2)6-5-8-11-7-3-4-9-12-11/h5,7-8,10H,3-4,6,9H2,1-2H3/b8-5+
InChIKeyIQONLCDFBDQUCL-VMPITWQZSA-N
MW166.26 g/mol
LogP3.28
Rot. Bonds3

About 6-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-pyran

6-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-pyran (PubChem CID 20732852) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 6-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-pyran
PubChem CID20732852
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name6-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-pyran
SMILESCC(C)C/C=C/C1=CCCCO1
InChIInChI=1S/C11H18O/c1-10(2)6-5-8-11-7-3-4-9-12-11/h5,7-8,10H,3-4,6,9H2,1-2H3/b8-5+
InChIKeyIQONLCDFBDQUCL-VMPITWQZSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-pyran 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 6-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 6-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-pyran (CID 20732852) is 6-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-pyran is CC(C)C/C=C/C1=CCCCO1.
What is the InChIKey of 6-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-pyran?
The InChIKey is IQONLCDFBDQUCL-VMPITWQZSA-N. The full InChI is InChI=1S/C11H18O/c1-10(2)6-5-8-11-7-3-4-9-12-11/h5,7-8,10H,3-4,6,9H2,1-2H3/b8-5+.
What are the key properties of 6-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-pyran?
6-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-pyran has a molecular weight of 166.26 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-4-methylpent-1-enyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 20732852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).