(2,5-diethyl-3,4-dihydropyran-2-yl)methanol

C10H18O2 — CID 3020668

IUPAC(2,5-diethyl-3,4-dihydropyran-2-yl)methanol
SMILESCCC1=COC(CC)(CO)CC1
InChIInChI=1S/C10H18O2/c1-3-9-5-6-10(4-2,8-11)12-7-9/h7,11H,3-6,8H2,1-2H3
InChIKeyIHEGBLXFHBDDSW-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.23
Rot. Bonds3

About (2,5-diethyl-3,4-dihydropyran-2-yl)methanol

(2,5-diethyl-3,4-dihydropyran-2-yl)methanol (PubChem CID 3020668) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2,5-diethyl-3,4-dihydropyran-2-yl)methanol.

Molecular Properties

Compound Name(2,5-diethyl-3,4-dihydropyran-2-yl)methanol
PubChem CID3020668
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2,5-diethyl-3,4-dihydropyran-2-yl)methanol
SMILESCCC1=COC(CC)(CO)CC1
InChIInChI=1S/C10H18O2/c1-3-9-5-6-10(4-2,8-11)12-7-9/h7,11H,3-6,8H2,1-2H3
InChIKeyIHEGBLXFHBDDSW-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-diethyl-3,4-dihydropyran-2-yl)methanol?
The IUPAC name of (2,5-diethyl-3,4-dihydropyran-2-yl)methanol (CID 3020668) is (2,5-diethyl-3,4-dihydropyran-2-yl)methanol.
What is the SMILES notation for (2,5-diethyl-3,4-dihydropyran-2-yl)methanol?
The canonical SMILES for (2,5-diethyl-3,4-dihydropyran-2-yl)methanol is CCC1=COC(CC)(CO)CC1.
What is the InChIKey of (2,5-diethyl-3,4-dihydropyran-2-yl)methanol?
The InChIKey is IHEGBLXFHBDDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-9-5-6-10(4-2,8-11)12-7-9/h7,11H,3-6,8H2,1-2H3.
What are the key properties of (2,5-diethyl-3,4-dihydropyran-2-yl)methanol?
(2,5-diethyl-3,4-dihydropyran-2-yl)methanol has a molecular weight of 170.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diethyl-3,4-dihydropyran-2-yl)methanol is sourced from PubChem (CID 3020668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).