3-[2-(4-methylcyclohexyl)ethyl]-6-[(4-methylcyclohexyl)methyl]oxan-2-one;6-[2-(4-methylcyclohexyl)ethyl]-3-[(4-methylcyclohexyl)methyl]oxan-2-one;3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;6-methyl-3-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;3-methyl-6-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one;6-methyl-3-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one

C118H204O12 — CID 159937345

IUPAC3-[2-(4-methylcyclohexyl)ethyl]-6-[(4-methylcyclohexyl)methyl]oxan-2-one;6-[2-(4-methylcyclohexyl)ethyl]-3-[(4-methylcyclohexyl)methyl]oxan-2-one;3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;6-methyl-3-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;3-methyl-6-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one;6-methyl-3-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one
SMILESCC1CCC(CC2CCC(CCC3CCC(C)C(=O)O3)CC2)CC1.CC1CCC(CC2CCC(CCC3CCC(C)OC3=O)CC2)CC1.CC1CCC(CCC2CCC(C)C(=O)O2)CC1.CC1CCC(CCC2CCC(C)OC2=O)CC1.CC1CCC(CCC2CCC(CC3CCC(C)CC3)C(=O)O2)CC1.CC1CCC(CCC2CCC(CC3CCC(C)CC3)OC2=O)CC1
InChIInChI=1S/4C22H38O2.2C15H26O2/c1-16-3-7-18(8-4-16)11-13-21-14-12-20(22(23)24-21)15-19-9-5-17(2)6-10-19;1-16-3-7-18(8-4-16)11-12-20-13-14-21(24-22(20)23)15-19-9-5-17(2)6-10-19;1-16-3-6-19(7-4-16)15-20-10-8-18(9-11-20)12-14-21-13-5-17(2)24-22(21)23;1-16-3-6-19(7-4-16)15-20-10-8-18(9-11-20)12-14-21-13-5-17(2)22(23)24-21;1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)17-15(14)16;1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(16)17-14/h4*16-21H,3-15H2,1-2H3;2*11-14H,3-10H2,1-2H3
InChIKeyOAKPSBFGZPWHOP-UHFFFAOYSA-N
MW1814.92 g/mol
LogP32.39
Rot. Bonds26

About 3-[2-(4-methylcyclohexyl)ethyl]-6-[(4-methylcyclohexyl)methyl]oxan-2-one;6-[2-(4-methylcyclohexyl)ethyl]-3-[(4-methylcyclohexyl)methyl]oxan-2-one;3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;6-methyl-3-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;3-methyl-6-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one;6-methyl-3-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one

3-[2-(4-methylcyclohexyl)ethyl]-6-[(4-methylcyclohexyl)methyl]oxan-2-one;6-[2-(4-methylcyclohexyl)ethyl]-3-[(4-methylcyclohexyl)methyl]oxan-2-one;3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;6-methyl-3-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;3-methyl-6-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one;6-methyl-3-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one (PubChem CID 159937345) has the molecular formula C118H204O12 and a molecular weight of 1814.92 g/mol. Its IUPAC name is 3-[2-(4-methylcyclohexyl)ethyl]-6-[(4-methylcyclohexyl)methyl]oxan-2-one;6-[2-(4-methylcyclohexyl)ethyl]-3-[(4-methylcyclohexyl)methyl]oxan-2-one;3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;6-methyl-3-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;3-methyl-6-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one;6-methyl-3-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one.

Molecular Properties

Compound Name3-[2-(4-methylcyclohexyl)ethyl]-6-[(4-methylcyclohexyl)methyl]oxan-2-one;6-[2-(4-methylcyclohexyl)ethyl]-3-[(4-methylcyclohexyl)methyl]oxan-2-one;3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;6-methyl-3-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;3-methyl-6-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one;6-methyl-3-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one
PubChem CID159937345
Molecular FormulaC118H204O12
Molecular Weight1814.92 g/mol
Exact Mass1813.54
IUPAC Name3-[2-(4-methylcyclohexyl)ethyl]-6-[(4-methylcyclohexyl)methyl]oxan-2-one;6-[2-(4-methylcyclohexyl)ethyl]-3-[(4-methylcyclohexyl)methyl]oxan-2-one;3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;6-methyl-3-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;3-methyl-6-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one;6-methyl-3-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one
SMILESCC1CCC(CC2CCC(CCC3CCC(C)C(=O)O3)CC2)CC1.CC1CCC(CC2CCC(CCC3CCC(C)OC3=O)CC2)CC1.CC1CCC(CCC2CCC(C)C(=O)O2)CC1.CC1CCC(CCC2CCC(C)OC2=O)CC1.CC1CCC(CCC2CCC(CC3CCC(C)CC3)C(=O)O2)CC1.CC1CCC(CCC2CCC(CC3CCC(C)CC3)OC2=O)CC1
InChIInChI=1S/4C22H38O2.2C15H26O2/c1-16-3-7-18(8-4-16)11-13-21-14-12-20(22(23)24-21)15-19-9-5-17(2)6-10-19;1-16-3-7-18(8-4-16)11-12-20-13-14-21(24-22(20)23)15-19-9-5-17(2)6-10-19;1-16-3-6-19(7-4-16)15-20-10-8-18(9-11-20)12-14-21-13-5-17(2)24-22(21)23;1-16-3-6-19(7-4-16)15-20-10-8-18(9-11-20)12-14-21-13-5-17(2)22(23)24-21;1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)17-15(14)16;1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(16)17-14/h4*16-21H,3-15H2,1-2H3;2*11-14H,3-10H2,1-2H3
InChIKeyOAKPSBFGZPWHOP-UHFFFAOYSA-N
XLogP32.39
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001814.92
LogP ≤ 532.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 3-[2-(4-methylcyclohexyl)ethyl]-6-[(4-methylcyclohexyl)methyl]oxan-2-one;6-[2-(4-methylcyclohexyl)ethyl]-3-[(4-methylcyclohexyl)methyl]oxan-2-one;3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;6-methyl-3-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;3-methyl-6-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one;6-methyl-3-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylcyclohexyl)ethyl]-6-[(4-methylcyclohexyl)methyl]oxan-2-one;6-[2-(4-methylcyclohexyl)ethyl]-3-[(4-methylcyclohexyl)methyl]oxan-2-one;3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;6-methyl-3-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;3-methyl-6-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one;6-methyl-3-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one?
The IUPAC name of 3-[2-(4-methylcyclohexyl)ethyl]-6-[(4-methylcyclohexyl)methyl]oxan-2-one;6-[2-(4-methylcyclohexyl)ethyl]-3-[(4-methylcyclohexyl)methyl]oxan-2-one;3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;6-methyl-3-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;3-methyl-6-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one;6-methyl-3-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one (CID 159937345) is 3-[2-(4-methylcyclohexyl)ethyl]-6-[(4-methylcyclohexyl)methyl]oxan-2-one;6-[2-(4-methylcyclohexyl)ethyl]-3-[(4-methylcyclohexyl)methyl]oxan-2-one;3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;6-methyl-3-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;3-methyl-6-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one;6-methyl-3-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one.
What is the SMILES notation for 3-[2-(4-methylcyclohexyl)ethyl]-6-[(4-methylcyclohexyl)methyl]oxan-2-one;6-[2-(4-methylcyclohexyl)ethyl]-3-[(4-methylcyclohexyl)methyl]oxan-2-one;3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;6-methyl-3-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;3-methyl-6-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one;6-methyl-3-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one?
The canonical SMILES for 3-[2-(4-methylcyclohexyl)ethyl]-6-[(4-methylcyclohexyl)methyl]oxan-2-one;6-[2-(4-methylcyclohexyl)ethyl]-3-[(4-methylcyclohexyl)methyl]oxan-2-one;3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;6-methyl-3-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;3-methyl-6-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one;6-methyl-3-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one is CC1CCC(CC2CCC(CCC3CCC(C)C(=O)O3)CC2)CC1.CC1CCC(CC2CCC(CCC3CCC(C)OC3=O)CC2)CC1.CC1CCC(CCC2CCC(C)C(=O)O2)CC1.CC1CCC(CCC2CCC(C)OC2=O)CC1.CC1CCC(CCC2CCC(CC3CCC(C)CC3)C(=O)O2)CC1.CC1CCC(CCC2CCC(CC3CCC(C)CC3)OC2=O)CC1.
What is the InChIKey of 3-[2-(4-methylcyclohexyl)ethyl]-6-[(4-methylcyclohexyl)methyl]oxan-2-one;6-[2-(4-methylcyclohexyl)ethyl]-3-[(4-methylcyclohexyl)methyl]oxan-2-one;3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;6-methyl-3-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;3-methyl-6-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one;6-methyl-3-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one?
The InChIKey is OAKPSBFGZPWHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C22H38O2.2C15H26O2/c1-16-3-7-18(8-4-16)11-13-21-14-12-20(22(23)24-21)15-19-9-5-17(2)6-10-19;1-16-3-7-18(8-4-16)11-12-20-13-14-21(24-22(20)23)15-19-9-5-17(2)6-10-19;1-16-3-6-19(7-4-16)15-20-10-8-18(9-11-20)12-14-21-13-5-17(2)24-22(21)23;1-16-3-6-19(7-4-16)15-20-10-8-18(9-11-20)12-14-21-13-5-17(2)22(23)24-21;1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)17-15(14)16;1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(16)17-14/h4*16-21H,3-15H2,1-2H3;2*11-14H,3-10H2,1-2H3.
What are the key properties of 3-[2-(4-methylcyclohexyl)ethyl]-6-[(4-methylcyclohexyl)methyl]oxan-2-one;6-[2-(4-methylcyclohexyl)ethyl]-3-[(4-methylcyclohexyl)methyl]oxan-2-one;3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;6-methyl-3-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;3-methyl-6-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one;6-methyl-3-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one?
3-[2-(4-methylcyclohexyl)ethyl]-6-[(4-methylcyclohexyl)methyl]oxan-2-one;6-[2-(4-methylcyclohexyl)ethyl]-3-[(4-methylcyclohexyl)methyl]oxan-2-one;3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;6-methyl-3-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;3-methyl-6-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one;6-methyl-3-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one has a molecular weight of 1814.92 g/mol, XLogP of 32.39, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylcyclohexyl)ethyl]-6-[(4-methylcyclohexyl)methyl]oxan-2-one;6-[2-(4-methylcyclohexyl)ethyl]-3-[(4-methylcyclohexyl)methyl]oxan-2-one;3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;6-methyl-3-[2-(4-methylcyclohexyl)ethyl]oxan-2-one;3-methyl-6-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one;6-methyl-3-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]ethyl]oxan-2-one is sourced from PubChem (CID 159937345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).