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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Related Compounds

6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583470
(4-methylcyclohexyl) 6-methyl-3,4-dihydro-2H-pyran-3-carboxylate
CID 118583460
tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate
CID 161058057
1-ethyl-4-(4-methylcyclohexyl)cyclohexene
CID 148827626
4-(4-methylcyclohexyl)cyclohexen-1-ol
CID 145005896
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
CID 154528812
[4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid
CID 145005860
2,7-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
CID 176921529
4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-thiol
CID 88553136
(5R)-5-methyl-2-[(2S)-5-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-2-yl]oxane
CID 155378283
6,6-difluoro-5-methyl-2-(4-methylcyclohexyl)-2,3-dihydropyran
CID 54327007

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).