3-(4,5-dimethyl-3,4-dihydro-2H-pyran-2-yl)propan-1-ol

C10H18O2 — CID 89004792

IUPAC3-(4,5-dimethyl-3,4-dihydro-2H-pyran-2-yl)propan-1-ol
SMILESCC1=COC(CCCO)CC1C
InChIInChI=1S/C10H18O2/c1-8-6-10(4-3-5-11)12-7-9(8)2/h7-8,10-11H,3-6H2,1-2H3
InChIKeyWNUHLIFJLKBLLL-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.09
Rot. Bonds3

About 3-(4,5-dimethyl-3,4-dihydro-2H-pyran-2-yl)propan-1-ol

3-(4,5-dimethyl-3,4-dihydro-2H-pyran-2-yl)propan-1-ol (PubChem CID 89004792) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-(4,5-dimethyl-3,4-dihydro-2H-pyran-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4,5-dimethyl-3,4-dihydro-2H-pyran-2-yl)propan-1-ol
PubChem CID89004792
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-(4,5-dimethyl-3,4-dihydro-2H-pyran-2-yl)propan-1-ol
SMILESCC1=COC(CCCO)CC1C
InChIInChI=1S/C10H18O2/c1-8-6-10(4-3-5-11)12-7-9(8)2/h7-8,10-11H,3-6H2,1-2H3
InChIKeyWNUHLIFJLKBLLL-UHFFFAOYSA-N
XLogP2.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-3,4-dihydro-2H-pyran-2-yl)propan-1-ol?
The IUPAC name of 3-(4,5-dimethyl-3,4-dihydro-2H-pyran-2-yl)propan-1-ol (CID 89004792) is 3-(4,5-dimethyl-3,4-dihydro-2H-pyran-2-yl)propan-1-ol.
What is the SMILES notation for 3-(4,5-dimethyl-3,4-dihydro-2H-pyran-2-yl)propan-1-ol?
The canonical SMILES for 3-(4,5-dimethyl-3,4-dihydro-2H-pyran-2-yl)propan-1-ol is CC1=COC(CCCO)CC1C.
What is the InChIKey of 3-(4,5-dimethyl-3,4-dihydro-2H-pyran-2-yl)propan-1-ol?
The InChIKey is WNUHLIFJLKBLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-6-10(4-3-5-11)12-7-9(8)2/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of 3-(4,5-dimethyl-3,4-dihydro-2H-pyran-2-yl)propan-1-ol?
3-(4,5-dimethyl-3,4-dihydro-2H-pyran-2-yl)propan-1-ol has a molecular weight of 170.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-3,4-dihydro-2H-pyran-2-yl)propan-1-ol is sourced from PubChem (CID 89004792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).