(2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran

C15H26O2 — CID 59026964

IUPAC(2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran
SMILESCOC1C=CC[C@@H](C[C@@H](C)CCC=C(C)C)O1
InChIInChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)11-14-9-6-10-15(16-4)17-14/h6-7,10,13-15H,5,8-9,11H2,1-4H3/t13-,14-,15?/m0/s1
InChIKeyHVKJBQJBFSMFMP-ZYOSVBKOSA-N
MW238.37 g/mol
LogP4.08
Rot. Bonds6

About (2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran

(2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran (PubChem CID 59026964) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran
PubChem CID59026964
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran
SMILESCOC1C=CC[C@@H](C[C@@H](C)CCC=C(C)C)O1
InChIInChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)11-14-9-6-10-15(16-4)17-14/h6-7,10,13-15H,5,8-9,11H2,1-4H3/t13-,14-,15?/m0/s1
InChIKeyHVKJBQJBFSMFMP-ZYOSVBKOSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-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 (2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran?
The IUPAC name of (2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran (CID 59026964) is (2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran is COC1C=CC[C@@H](C[C@@H](C)CCC=C(C)C)O1.
What is the InChIKey of (2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran?
The InChIKey is HVKJBQJBFSMFMP-ZYOSVBKOSA-N. The full InChI is InChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)11-14-9-6-10-15(16-4)17-14/h6-7,10,13-15H,5,8-9,11H2,1-4H3/t13-,14-,15?/m0/s1.
What are the key properties of (2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran?
(2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran has a molecular weight of 238.37 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran is sourced from PubChem (CID 59026964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).