(2S)-2-butyl-4,5-dimethyl-3,6-dihydro-2H-pyran

C11H20O — CID 124637643

IUPAC(2S)-2-butyl-4,5-dimethyl-3,6-dihydro-2H-pyran
SMILESCCCC[C@H]1CC(C)=C(C)CO1
InChIInChI=1S/C11H20O/c1-4-5-6-11-7-9(2)10(3)8-12-11/h11H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyHBJJCCMFJNRZQU-NSHDSACASA-N
MW168.28 g/mol
LogP3.30
Rot. Bonds3

About (2S)-2-butyl-4,5-dimethyl-3,6-dihydro-2H-pyran

(2S)-2-butyl-4,5-dimethyl-3,6-dihydro-2H-pyran (PubChem CID 124637643) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2S)-2-butyl-4,5-dimethyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S)-2-butyl-4,5-dimethyl-3,6-dihydro-2H-pyran
PubChem CID124637643
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2S)-2-butyl-4,5-dimethyl-3,6-dihydro-2H-pyran
SMILESCCCC[C@H]1CC(C)=C(C)CO1
InChIInChI=1S/C11H20O/c1-4-5-6-11-7-9(2)10(3)8-12-11/h11H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyHBJJCCMFJNRZQU-NSHDSACASA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
2H-Pyran, 2-butyl-3,6-dihydro-4,6-dimethyl-
CID 91148
4-Methylidene-2-(2-methylprop-1-enyl)oxane
CID 108520
2-Butyl-4-methyl-5,6-dihydro-2H-pyran
CID 12503534
2-Butyl-4-methyl-3,6-dihydro-2h-pyran
CID 12503535
2-(2-Methylprop-1-enyl)4-methylenetetrahydropyran, (R)-
CID 11708083
2-Butyl-3,4-bis(prop-2-enyl)-2,5-dihydrofuran
CID 15892525
4-methyl-2-propyl-3,6-dihydro-2H-pyran
CID 12283590
2-Butyl-4,5-dimethyl-3,6-dihydro-2H-pyran
CID 69342052
Dimethyl-7-oxabicyclo[2.2.1]hept-5-ene
CID 89932960
2,4,5-trimethyl-3,6-dihydro-2H-pyran
CID 132519624
2H-Pyran, 3,6-dihydro-4-methyl-2-(1-methyl-1-buten-1-yl)-
CID 6450426

Frequently Asked Questions

What is the IUPAC name of (2S)-2-butyl-4,5-dimethyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S)-2-butyl-4,5-dimethyl-3,6-dihydro-2H-pyran (CID 124637643) is (2S)-2-butyl-4,5-dimethyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S)-2-butyl-4,5-dimethyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S)-2-butyl-4,5-dimethyl-3,6-dihydro-2H-pyran is CCCC[C@H]1CC(C)=C(C)CO1.
What is the InChIKey of (2S)-2-butyl-4,5-dimethyl-3,6-dihydro-2H-pyran?
The InChIKey is HBJJCCMFJNRZQU-NSHDSACASA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-6-11-7-9(2)10(3)8-12-11/h11H,4-8H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-butyl-4,5-dimethyl-3,6-dihydro-2H-pyran?
(2S)-2-butyl-4,5-dimethyl-3,6-dihydro-2H-pyran has a molecular weight of 168.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-butyl-4,5-dimethyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 124637643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).