3,4-dihydro-2H-pyran-6-yl-(1-methoxy-4-methylcyclohexyl)methanone

C14H22O3 — CID 102647056

IUPAC3,4-dihydro-2H-pyran-6-yl-(1-methoxy-4-methylcyclohexyl)methanone
SMILESCOC1(C(=O)C2=CCCCO2)CCC(C)CC1
InChIInChI=1S/C14H22O3/c1-11-6-8-14(16-2,9-7-11)13(15)12-5-3-4-10-17-12/h5,11H,3-4,6-10H2,1-2H3
InChIKeyJMOUFYROZYMXAF-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.85
Rot. Bonds3

About 3,4-dihydro-2H-pyran-6-yl-(1-methoxy-4-methylcyclohexyl)methanone

3,4-dihydro-2H-pyran-6-yl-(1-methoxy-4-methylcyclohexyl)methanone (PubChem CID 102647056) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(1-methoxy-4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(1-methoxy-4-methylcyclohexyl)methanone
PubChem CID102647056
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(1-methoxy-4-methylcyclohexyl)methanone
SMILESCOC1(C(=O)C2=CCCCO2)CCC(C)CC1
InChIInChI=1S/C14H22O3/c1-11-6-8-14(16-2,9-7-11)13(15)12-5-3-4-10-17-12/h5,11H,3-4,6-10H2,1-2H3
InChIKeyJMOUFYROZYMXAF-UHFFFAOYSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone
CID 118351383
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)prop-2-en-1-one
CID 85991140
(E)-4-cyclohexyl-3-methoxy-4-oxobut-2-enal
CID 102055870
3,4-dihydro-2H-pyran-6-yl-[(5R)-5-prop-1-en-2-ylcyclohexen-1-yl]methanone
CID 135078289
3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methanone
CID 102648650
2-Cyclohexyl-5-methylfuran-3-one
CID 4447644
4-Methoxytricyclo[6.2.2.02,7]dodeca-2(7),4-diene-3,6-dione
CID 5314201
3,4-dihydro-2H-pyran-6-yl-(2,6,6-trimethylcyclohexen-1-yl)methanone
CID 144294565
2-[(1S)-3-methylcyclohex-2-en-1-yl]-5-pentyl-3-prop-1-en-2-yloxycyclohexa-2,5-diene-1,4-dione
CID 170254418
2-(Cyclohexylmethyl)-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 10868226
(2S)-2-cyclohexyl-5-methylfuran-3-one
CID 92141139
(2R)-2-cyclohexyl-5-methylfuran-3-one
CID 98111184

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-methoxy-4-methylcyclohexyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-methoxy-4-methylcyclohexyl)methanone (CID 102647056) is 3,4-dihydro-2H-pyran-6-yl-(1-methoxy-4-methylcyclohexyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(1-methoxy-4-methylcyclohexyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(1-methoxy-4-methylcyclohexyl)methanone is COC1(C(=O)C2=CCCCO2)CCC(C)CC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(1-methoxy-4-methylcyclohexyl)methanone?
The InChIKey is JMOUFYROZYMXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-11-6-8-14(16-2,9-7-11)13(15)12-5-3-4-10-17-12/h5,11H,3-4,6-10H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(1-methoxy-4-methylcyclohexyl)methanone?
3,4-dihydro-2H-pyran-6-yl-(1-methoxy-4-methylcyclohexyl)methanone has a molecular weight of 238.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(1-methoxy-4-methylcyclohexyl)methanone is sourced from PubChem (CID 102647056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).