[(2S)-5-methyl-3,4-dihydro-2H-pyran-2-yl]methanol

C7H12O2 — CID 5325606

IUPAC[(2S)-5-methyl-3,4-dihydro-2H-pyran-2-yl]methanol
SMILESCC1=CO[C@H](CO)CC1
InChIInChI=1S/C7H12O2/c1-6-2-3-7(4-8)9-5-6/h5,7-8H,2-4H2,1H3/t7-/m0/s1
InChIKeyTVATZMPTDCUELD-ZETCQYMHSA-N
MW128.17 g/mol
LogP1.06
Rot. Bonds1

About [(2S)-5-methyl-3,4-dihydro-2H-pyran-2-yl]methanol

[(2S)-5-methyl-3,4-dihydro-2H-pyran-2-yl]methanol (PubChem CID 5325606) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is [(2S)-5-methyl-3,4-dihydro-2H-pyran-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-5-methyl-3,4-dihydro-2H-pyran-2-yl]methanol
PubChem CID5325606
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name[(2S)-5-methyl-3,4-dihydro-2H-pyran-2-yl]methanol
SMILESCC1=CO[C@H](CO)CC1
InChIInChI=1S/C7H12O2/c1-6-2-3-7(4-8)9-5-6/h5,7-8H,2-4H2,1H3/t7-/m0/s1
InChIKeyTVATZMPTDCUELD-ZETCQYMHSA-N
XLogP1.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-5-methyl-3,4-dihydro-2H-pyran-2-yl]methanol?
The IUPAC name of [(2S)-5-methyl-3,4-dihydro-2H-pyran-2-yl]methanol (CID 5325606) is [(2S)-5-methyl-3,4-dihydro-2H-pyran-2-yl]methanol.
What is the SMILES notation for [(2S)-5-methyl-3,4-dihydro-2H-pyran-2-yl]methanol?
The canonical SMILES for [(2S)-5-methyl-3,4-dihydro-2H-pyran-2-yl]methanol is CC1=CO[C@H](CO)CC1.
What is the InChIKey of [(2S)-5-methyl-3,4-dihydro-2H-pyran-2-yl]methanol?
The InChIKey is TVATZMPTDCUELD-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12O2/c1-6-2-3-7(4-8)9-5-6/h5,7-8H,2-4H2,1H3/t7-/m0/s1.
What are the key properties of [(2S)-5-methyl-3,4-dihydro-2H-pyran-2-yl]methanol?
[(2S)-5-methyl-3,4-dihydro-2H-pyran-2-yl]methanol has a molecular weight of 128.17 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-methyl-3,4-dihydro-2H-pyran-2-yl]methanol is sourced from PubChem (CID 5325606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).