3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran

C11H18O2 — CID 141378568

IUPAC3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran
SMILESCC1(C2CC=COC2)CCOCC1
InChIInChI=1S/C11H18O2/c1-11(4-7-12-8-5-11)10-3-2-6-13-9-10/h2,6,10H,3-5,7-9H2,1H3
InChIKeyQQLDLWRYLPBHQJ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.35
Rot. Bonds1

About 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran

3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran (PubChem CID 141378568) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran
PubChem CID141378568
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran
SMILESCC1(C2CC=COC2)CCOCC1
InChIInChI=1S/C11H18O2/c1-11(4-7-12-8-5-11)10-3-2-6-13-9-10/h2,6,10H,3-5,7-9H2,1H3
InChIKeyQQLDLWRYLPBHQJ-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Dimethyl-1,9-dioxaspiro[5.5]undec-2-ene
CID 642963
3-Ethyl-3-(prop-1-enoxymethyl)oxane
CID 152623649
(3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane
CID 158761039
3-(Cyclohexylidenemethoxymethyl)-3-ethyloxane
CID 176603231
4-[2-(Cyclohexylidenemethoxy)ethyl]-3-methyloxane
CID 176603426
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603461
3-(3,4-dihydro-2H-pyran-4-yl)-3,4-dihydro-2H-pyran
CID 85592905

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran?
The IUPAC name of 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran (CID 141378568) is 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran is CC1(C2CC=COC2)CCOCC1.
What is the InChIKey of 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran?
The InChIKey is QQLDLWRYLPBHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(4-7-12-8-5-11)10-3-2-6-13-9-10/h2,6,10H,3-5,7-9H2,1H3.
What are the key properties of 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran?
3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran has a molecular weight of 182.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 141378568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).