6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran

C19H32O — CID 118583459

IUPAC6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran
SMILESCC1=CCC(C2CCC(C3CCC(C)CC3)CC2)CO1
InChIInChI=1S/C19H32O/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20-13-19/h5,14,16-19H,3-4,6-13H2,1-2H3
InChIKeyLZZOSSIMQLASOT-UHFFFAOYSA-N
MW276.46 g/mol
LogP5.56
Rot. Bonds2

About 6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran

6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran (PubChem CID 118583459) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran
PubChem CID118583459
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran
SMILESCC1=CCC(C2CCC(C3CCC(C)CC3)CC2)CO1
InChIInChI=1S/C19H32O/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20-13-19/h5,14,16-19H,3-4,6-13H2,1-2H3
InChIKeyLZZOSSIMQLASOT-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran (CID 118583459) is 6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran is CC1=CCC(C2CCC(C3CCC(C)CC3)CC2)CO1.
What is the InChIKey of 6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran?
The InChIKey is LZZOSSIMQLASOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20-13-19/h5,14,16-19H,3-4,6-13H2,1-2H3.
What are the key properties of 6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran?
6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran has a molecular weight of 276.46 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118583459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).