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

C7H12O — CID 171424311

IUPAC(3S)-3,6-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=CC[C@H](C)CO1
InChIInChI=1S/C7H12O/c1-6-3-4-7(2)8-5-6/h4,6H,3,5H2,1-2H3/t6-/m0/s1
InChIKeyVXOSRHGDLHNMOJ-LURJTMIESA-N
MW112.17 g/mol
LogP1.95
Rot. Bonds

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

(3S)-3,6-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 171424311) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (3S)-3,6-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(3S)-3,6-dimethyl-3,4-dihydro-2H-pyran
PubChem CID171424311
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(3S)-3,6-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=CC[C@H](C)CO1
InChIInChI=1S/C7H12O/c1-6-3-4-7(2)8-5-6/h4,6H,3,5H2,1-2H3/t6-/m0/s1
InChIKeyVXOSRHGDLHNMOJ-LURJTMIESA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3,6-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of (3S)-3,6-dimethyl-3,4-dihydro-2H-pyran (CID 171424311) is (3S)-3,6-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for (3S)-3,6-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for (3S)-3,6-dimethyl-3,4-dihydro-2H-pyran is CC1=CC[C@H](C)CO1.
What is the InChIKey of (3S)-3,6-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is VXOSRHGDLHNMOJ-LURJTMIESA-N. The full InChI is InChI=1S/C7H12O/c1-6-3-4-7(2)8-5-6/h4,6H,3,5H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-3,6-dimethyl-3,4-dihydro-2H-pyran?
(3S)-3,6-dimethyl-3,4-dihydro-2H-pyran has a molecular weight of 112.17 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,6-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 171424311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).