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

C11H20O — CID 154712744

IUPAC(2S)-4,5-dimethyl-2-(2-methylpropyl)-3,6-dihydro-2H-pyran
SMILESCC1=C(C)C[C@H](CC(C)C)OC1
InChIInChI=1S/C11H20O/c1-8(2)5-11-6-9(3)10(4)7-12-11/h8,11H,5-7H2,1-4H3/t11-/m0/s1
InChIKeyCRDBGRWUSFMNPM-NSHDSACASA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds2

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

(2S)-4,5-dimethyl-2-(2-methylpropyl)-3,6-dihydro-2H-pyran (PubChem CID 154712744) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2S)-4,5-dimethyl-2-(2-methylpropyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S)-4,5-dimethyl-2-(2-methylpropyl)-3,6-dihydro-2H-pyran
PubChem CID154712744
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2S)-4,5-dimethyl-2-(2-methylpropyl)-3,6-dihydro-2H-pyran
SMILESCC1=C(C)C[C@H](CC(C)C)OC1
InChIInChI=1S/C11H20O/c1-8(2)5-11-6-9(3)10(4)7-12-11/h8,11H,5-7H2,1-4H3/t11-/m0/s1
InChIKeyCRDBGRWUSFMNPM-NSHDSACASA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
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

5,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108398
3,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108400
2-Isopropyl-4-methyl-3,6-dihydro-2h-pyran
CID 12283089
4-methyl-2-propyl-3,6-dihydro-2H-pyran
CID 12283590
2-Butyl-4,5-dimethyl-3,6-dihydro-2H-pyran
CID 69342052
(2R)-5-fluoro-2-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran
CID 176585478
3-Fluoro-6,6-dimethyl-4-propan-2-yl-2,5-dihydropyran
CID 176585480
(2S)-5-fluoro-2-methyl-4-propan-2-yl-3,6-dihydro-2H-pyran
CID 176585506
(2S)-4-methyl-2-(2-methylpropyl)-3,6-dihydro-2H-pyran
CID 92279421
4,5-dimethyl-2-(2,4,4-trimethylpentyl)-3,6-dihydro-2H-pyran
CID 101793271
(2S)-2-butyl-4,5-dimethyl-3,6-dihydro-2H-pyran
CID 124637643
2,4,6-Trimethyl-6-(2-methylpropyl)-2,3-dihydropyran
CID 134995841

Frequently Asked Questions

What is the IUPAC name of (2S)-4,5-dimethyl-2-(2-methylpropyl)-3,6-dihydro-2H-pyran?
The IUPAC name of (2S)-4,5-dimethyl-2-(2-methylpropyl)-3,6-dihydro-2H-pyran (CID 154712744) is (2S)-4,5-dimethyl-2-(2-methylpropyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S)-4,5-dimethyl-2-(2-methylpropyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S)-4,5-dimethyl-2-(2-methylpropyl)-3,6-dihydro-2H-pyran is CC1=C(C)C[C@H](CC(C)C)OC1.
What is the InChIKey of (2S)-4,5-dimethyl-2-(2-methylpropyl)-3,6-dihydro-2H-pyran?
The InChIKey is CRDBGRWUSFMNPM-NSHDSACASA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)5-11-6-9(3)10(4)7-12-11/h8,11H,5-7H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-4,5-dimethyl-2-(2-methylpropyl)-3,6-dihydro-2H-pyran?
(2S)-4,5-dimethyl-2-(2-methylpropyl)-3,6-dihydro-2H-pyran has a molecular weight of 168.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,5-dimethyl-2-(2-methylpropyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 154712744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).