(4-methylcyclohexyl) 6-methyl-3,4-dihydro-2H-pyran-3-carboxylate

C14H22O3 — CID 118583460

IUPAC(4-methylcyclohexyl) 6-methyl-3,4-dihydro-2H-pyran-3-carboxylate
SMILESCC1=CCC(C(=O)OC2CCC(C)CC2)CO1
InChIInChI=1S/C14H22O3/c1-10-3-7-13(8-4-10)17-14(15)12-6-5-11(2)16-9-12/h5,10,12-13H,3-4,6-9H2,1-2H3
InChIKeyUBLDMUDMGCXQEN-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.05
Rot. Bonds2

About (4-methylcyclohexyl) 6-methyl-3,4-dihydro-2H-pyran-3-carboxylate

(4-methylcyclohexyl) 6-methyl-3,4-dihydro-2H-pyran-3-carboxylate (PubChem CID 118583460) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (4-methylcyclohexyl) 6-methyl-3,4-dihydro-2H-pyran-3-carboxylate.

Molecular Properties

Compound Name(4-methylcyclohexyl) 6-methyl-3,4-dihydro-2H-pyran-3-carboxylate
PubChem CID118583460
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(4-methylcyclohexyl) 6-methyl-3,4-dihydro-2H-pyran-3-carboxylate
SMILESCC1=CCC(C(=O)OC2CCC(C)CC2)CO1
InChIInChI=1S/C14H22O3/c1-10-3-7-13(8-4-10)17-14(15)12-6-5-11(2)16-9-12/h5,10,12-13H,3-4,6-9H2,1-2H3
InChIKeyUBLDMUDMGCXQEN-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate
CID 20730861
6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran
CID 118583459
(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate
CID 58650724
cyclopropyl cyclopropanecarboxylate
CID 54407874
(4-phenylmethoxycyclohexyl) 4-methylcyclohexane-1-carboxylate
CID 144529311
(4-methylcyclohexyl) 4-aminooxolane-3-carboxylate
CID 66239919
(4-methylcyclohexyl) 4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexane-1-carboxylate
CID 59938787
[2-(4-methylcyclohexyl)-1,3-dioxan-5-yl] 4-methylcyclohexane-1-carboxylate
CID 21359941
CID 59881533
CID 59881533
cyclobutyl cyclopent-3-ene-1-carboxylate
CID 130979385
(4-methylcyclohexyl) carbamate
CID 22083226
(4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 159023786

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) 6-methyl-3,4-dihydro-2H-pyran-3-carboxylate?
The IUPAC name of (4-methylcyclohexyl) 6-methyl-3,4-dihydro-2H-pyran-3-carboxylate (CID 118583460) is (4-methylcyclohexyl) 6-methyl-3,4-dihydro-2H-pyran-3-carboxylate.
What is the SMILES notation for (4-methylcyclohexyl) 6-methyl-3,4-dihydro-2H-pyran-3-carboxylate?
The canonical SMILES for (4-methylcyclohexyl) 6-methyl-3,4-dihydro-2H-pyran-3-carboxylate is CC1=CCC(C(=O)OC2CCC(C)CC2)CO1.
What is the InChIKey of (4-methylcyclohexyl) 6-methyl-3,4-dihydro-2H-pyran-3-carboxylate?
The InChIKey is UBLDMUDMGCXQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-10-3-7-13(8-4-10)17-14(15)12-6-5-11(2)16-9-12/h5,10,12-13H,3-4,6-9H2,1-2H3.
What are the key properties of (4-methylcyclohexyl) 6-methyl-3,4-dihydro-2H-pyran-3-carboxylate?
(4-methylcyclohexyl) 6-methyl-3,4-dihydro-2H-pyran-3-carboxylate has a molecular weight of 238.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) 6-methyl-3,4-dihydro-2H-pyran-3-carboxylate is sourced from PubChem (CID 118583460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).