(2S,6R)-2-methyl-6-pentyl-3,6-dihydro-2H-pyran

C11H20O — CID 11298191

IUPAC(2S,6R)-2-methyl-6-pentyl-3,6-dihydro-2H-pyran
SMILESCCCCC[C@@H]1C=CC[C@H](C)O1
InChIInChI=1S/C11H20O/c1-3-4-5-8-11-9-6-7-10(2)12-11/h6,9-11H,3-5,7-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyWXWAJXRVHPZXNW-WDEREUQCSA-N
MW168.28 g/mol
LogP3.30
Rot. Bonds4

About (2S,6R)-2-methyl-6-pentyl-3,6-dihydro-2H-pyran

(2S,6R)-2-methyl-6-pentyl-3,6-dihydro-2H-pyran (PubChem CID 11298191) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2S,6R)-2-methyl-6-pentyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6R)-2-methyl-6-pentyl-3,6-dihydro-2H-pyran
PubChem CID11298191
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2S,6R)-2-methyl-6-pentyl-3,6-dihydro-2H-pyran
SMILESCCCCC[C@@H]1C=CC[C@H](C)O1
InChIInChI=1S/C11H20O/c1-3-4-5-8-11-9-6-7-10(2)12-11/h6,9-11H,3-5,7-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyWXWAJXRVHPZXNW-WDEREUQCSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-methyl-6-pentyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6R)-2-methyl-6-pentyl-3,6-dihydro-2H-pyran (CID 11298191) is (2S,6R)-2-methyl-6-pentyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6R)-2-methyl-6-pentyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6R)-2-methyl-6-pentyl-3,6-dihydro-2H-pyran is CCCCC[C@@H]1C=CC[C@H](C)O1.
What is the InChIKey of (2S,6R)-2-methyl-6-pentyl-3,6-dihydro-2H-pyran?
The InChIKey is WXWAJXRVHPZXNW-WDEREUQCSA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-5-8-11-9-6-7-10(2)12-11/h6,9-11H,3-5,7-8H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (2S,6R)-2-methyl-6-pentyl-3,6-dihydro-2H-pyran?
(2S,6R)-2-methyl-6-pentyl-3,6-dihydro-2H-pyran has a molecular weight of 168.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-methyl-6-pentyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11298191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).