3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanol

C13H22O2 — CID 115831461

IUPAC3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanol
SMILESCCC1(C(O)C2=COCCC2)CCCC1
InChIInChI=1S/C13H22O2/c1-2-13(7-3-4-8-13)12(14)11-6-5-9-15-10-11/h10,12,14H,2-9H2,1H3
InChIKeyHGENWNMANXLDLL-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.01
Rot. Bonds3

About 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanol

3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanol (PubChem CID 115831461) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanol
PubChem CID115831461
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanol
SMILESCCC1(C(O)C2=COCCC2)CCCC1
InChIInChI=1S/C13H22O2/c1-2-13(7-3-4-8-13)12(14)11-6-5-9-15-10-11/h10,12,14H,2-9H2,1H3
InChIKeyHGENWNMANXLDLL-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanol?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanol (CID 115831461) is 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanol?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanol is CCC1(C(O)C2=COCCC2)CCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanol?
The InChIKey is HGENWNMANXLDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-13(7-3-4-8-13)12(14)11-6-5-9-15-10-11/h10,12,14H,2-9H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanol?
3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanol has a molecular weight of 210.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanol is sourced from PubChem (CID 115831461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).