5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran-3-ol

C9H16O2 — CID 90923692

IUPAC5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran-3-ol
SMILESCC1=C(C(C)C)OCC(O)C1
InChIInChI=1S/C9H16O2/c1-6(2)9-7(3)4-8(10)5-11-9/h6,8,10H,4-5H2,1-3H3
InChIKeyLFFDBISDCFMSKC-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.70
Rot. Bonds1

About 5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran-3-ol

5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran-3-ol (PubChem CID 90923692) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran-3-ol
PubChem CID90923692
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran-3-ol
SMILESCC1=C(C(C)C)OCC(O)C1
InChIInChI=1S/C9H16O2/c1-6(2)9-7(3)4-8(10)5-11-9/h6,8,10H,4-5H2,1-3H3
InChIKeyLFFDBISDCFMSKC-UHFFFAOYSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran-3-ol?
The IUPAC name of 5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran-3-ol (CID 90923692) is 5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran-3-ol?
The canonical SMILES for 5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran-3-ol is CC1=C(C(C)C)OCC(O)C1.
What is the InChIKey of 5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran-3-ol?
The InChIKey is LFFDBISDCFMSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-6(2)9-7(3)4-8(10)5-11-9/h6,8,10H,4-5H2,1-3H3.
What are the key properties of 5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran-3-ol?
5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran-3-ol has a molecular weight of 156.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 90923692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).