(2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran

C10H16O — CID 11062576

IUPAC(2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
SMILESCC(C)=C[C@@H]1CC(C)=CCO1
InChIInChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3/t10-/m1/s1
InChIKeyFRISMOQHTLZZRP-SNVBAGLBSA-N
MW152.24 g/mol
LogP2.69
Rot. Bonds1

About (2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran

(2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran (PubChem CID 11062576) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
PubChem CID11062576
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
SMILESCC(C)=C[C@@H]1CC(C)=CCO1
InChIInChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3/t10-/m1/s1
InChIKeyFRISMOQHTLZZRP-SNVBAGLBSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.69
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

(+-)-Nerol oxide
CID 61275
(2E)-1-Ethoxy-3,7-dimethyl-2,6-octadiene
CID 5365847
(2E)-1-Methoxy-3,7-dimethyl-2,6-octadiene
CID 5365849
2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2Z)-
CID 6436546
2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)-
CID 6436330
4-Methylidene-2-(2-methylprop-1-enyl)oxane
CID 108520
2H-Pyran, 3,6-dihydro-4-(4-methyl-3-penten-1-yl)-
CID 91909
2H-Pyran, 2-butyl-3,6-dihydro-4,6-dimethyl-
CID 91148
2H-Pyran, 3,6-dihydro-5-(4-methyl-3-pentenyl)-
CID 172806
2-Butyl-5,6-dihydro-2,4-dimethyl-2H-pyran
CID 3017306
Quinceoxepine
CID 131752304

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran?
The IUPAC name of (2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran (CID 11062576) is (2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran is CC(C)=C[C@@H]1CC(C)=CCO1.
What is the InChIKey of (2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran?
The InChIKey is FRISMOQHTLZZRP-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3/t10-/m1/s1.
What are the key properties of (2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran?
(2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran has a molecular weight of 152.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11062576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).