methane;(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran

C10H20O — CID 158735621

IUPACmethane;(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran
SMILESC.CC1=CCO[C@H](C(C)C)C1
InChIInChI=1S/C9H16O.CH4/c1-7(2)9-6-8(3)4-5-10-9;/h4,7,9H,5-6H2,1-3H3;1H4/t9-;/m0./s1
InChIKeyILQIJTYXPFYZJI-FVGYRXGTSA-N
MW156.27 g/mol
LogP3.01
Rot. Bonds1

About methane;(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran

methane;(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran (PubChem CID 158735621) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is methane;(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Namemethane;(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran
PubChem CID158735621
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Namemethane;(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran
SMILESC.CC1=CCO[C@H](C(C)C)C1
InChIInChI=1S/C9H16O.CH4/c1-7(2)9-6-8(3)4-5-10-9;/h4,7,9H,5-6H2,1-3H3;1H4/t9-;/m0./s1
InChIKeyILQIJTYXPFYZJI-FVGYRXGTSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran?
The IUPAC name of methane;(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran (CID 158735621) is methane;(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran.
What is the SMILES notation for methane;(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran?
The canonical SMILES for methane;(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran is C.CC1=CCO[C@H](C(C)C)C1.
What is the InChIKey of methane;(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran?
The InChIKey is ILQIJTYXPFYZJI-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H16O.CH4/c1-7(2)9-6-8(3)4-5-10-9;/h4,7,9H,5-6H2,1-3H3;1H4/t9-;/m0./s1.
What are the key properties of methane;(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran?
methane;(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran has a molecular weight of 156.27 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2S)-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 158735621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).