2,2-dimethyl-6-[2-(4-propan-2-ylcyclohexyl)ethoxy]hexan-3-one;2,2-dimethyl-7-(4-propan-2-ylcyclohexyl)heptan-3-one;2,2-dimethyl-6-(4-propan-2-ylcyclohexyl)hexan-3-one;2,2-dimethyl-9-(4-propan-2-ylcyclohexyl)nonan-3-one;2,2-dimethyl-8-(4-propan-2-ylcyclohexyl)octan-3-one;methane

C94H180O6 — CID 162245455

IUPAC2,2-dimethyl-6-[2-(4-propan-2-ylcyclohexyl)ethoxy]hexan-3-one;2,2-dimethyl-7-(4-propan-2-ylcyclohexyl)heptan-3-one;2,2-dimethyl-6-(4-propan-2-ylcyclohexyl)hexan-3-one;2,2-dimethyl-9-(4-propan-2-ylcyclohexyl)nonan-3-one;2,2-dimethyl-8-(4-propan-2-ylcyclohexyl)octan-3-one;methane
SMILESC.CC(C)C1CCC(CCCC(=O)C(C)(C)C)CC1.CC(C)C1CCC(CCCCC(=O)C(C)(C)C)CC1.CC(C)C1CCC(CCCCCC(=O)C(C)(C)C)CC1.CC(C)C1CCC(CCCCCCC(=O)C(C)(C)C)CC1.CC(C)C1CCC(CCOCCCC(=O)C(C)(C)C)CC1
InChIInChI=1S/C20H38O.C19H36O2.C19H36O.C18H34O.C17H32O.CH4/c1-16(2)18-14-12-17(13-15-18)10-8-6-7-9-11-19(21)20(3,4)5;1-15(2)17-10-8-16(9-11-17)12-14-21-13-6-7-18(20)19(3,4)5;1-15(2)17-13-11-16(12-14-17)9-7-6-8-10-18(20)19(3,4)5;1-14(2)16-12-10-15(11-13-16)8-6-7-9-17(19)18(3,4)5;1-13(2)15-11-9-14(10-12-15)7-6-8-16(18)17(3,4)5;/h16-18H,6-15H2,1-5H3;15-17H,6-14H2,1-5H3;15-17H,6-14H2,1-5H3;14-16H,6-13H2,1-5H3;13-15H,6-12H2,1-5H3;1H4
InChIKeyZXGVLZBRGAWYAU-UHFFFAOYSA-N
MW1406.47 g/mol
LogP29.16
Rot. Bonds34

About 2,2-dimethyl-6-[2-(4-propan-2-ylcyclohexyl)ethoxy]hexan-3-one;2,2-dimethyl-7-(4-propan-2-ylcyclohexyl)heptan-3-one;2,2-dimethyl-6-(4-propan-2-ylcyclohexyl)hexan-3-one;2,2-dimethyl-9-(4-propan-2-ylcyclohexyl)nonan-3-one;2,2-dimethyl-8-(4-propan-2-ylcyclohexyl)octan-3-one;methane

2,2-dimethyl-6-[2-(4-propan-2-ylcyclohexyl)ethoxy]hexan-3-one;2,2-dimethyl-7-(4-propan-2-ylcyclohexyl)heptan-3-one;2,2-dimethyl-6-(4-propan-2-ylcyclohexyl)hexan-3-one;2,2-dimethyl-9-(4-propan-2-ylcyclohexyl)nonan-3-one;2,2-dimethyl-8-(4-propan-2-ylcyclohexyl)octan-3-one;methane (PubChem CID 162245455) has the molecular formula C94H180O6 and a molecular weight of 1406.47 g/mol. Its IUPAC name is 2,2-dimethyl-6-[2-(4-propan-2-ylcyclohexyl)ethoxy]hexan-3-one;2,2-dimethyl-7-(4-propan-2-ylcyclohexyl)heptan-3-one;2,2-dimethyl-6-(4-propan-2-ylcyclohexyl)hexan-3-one;2,2-dimethyl-9-(4-propan-2-ylcyclohexyl)nonan-3-one;2,2-dimethyl-8-(4-propan-2-ylcyclohexyl)octan-3-one;methane.

Molecular Properties

Compound Name2,2-dimethyl-6-[2-(4-propan-2-ylcyclohexyl)ethoxy]hexan-3-one;2,2-dimethyl-7-(4-propan-2-ylcyclohexyl)heptan-3-one;2,2-dimethyl-6-(4-propan-2-ylcyclohexyl)hexan-3-one;2,2-dimethyl-9-(4-propan-2-ylcyclohexyl)nonan-3-one;2,2-dimethyl-8-(4-propan-2-ylcyclohexyl)octan-3-one;methane
PubChem CID162245455
Molecular FormulaC94H180O6
Molecular Weight1406.47 g/mol
Exact Mass1405.38
IUPAC Name2,2-dimethyl-6-[2-(4-propan-2-ylcyclohexyl)ethoxy]hexan-3-one;2,2-dimethyl-7-(4-propan-2-ylcyclohexyl)heptan-3-one;2,2-dimethyl-6-(4-propan-2-ylcyclohexyl)hexan-3-one;2,2-dimethyl-9-(4-propan-2-ylcyclohexyl)nonan-3-one;2,2-dimethyl-8-(4-propan-2-ylcyclohexyl)octan-3-one;methane
SMILESC.CC(C)C1CCC(CCCC(=O)C(C)(C)C)CC1.CC(C)C1CCC(CCCCC(=O)C(C)(C)C)CC1.CC(C)C1CCC(CCCCCC(=O)C(C)(C)C)CC1.CC(C)C1CCC(CCCCCCC(=O)C(C)(C)C)CC1.CC(C)C1CCC(CCOCCCC(=O)C(C)(C)C)CC1
InChIInChI=1S/C20H38O.C19H36O2.C19H36O.C18H34O.C17H32O.CH4/c1-16(2)18-14-12-17(13-15-18)10-8-6-7-9-11-19(21)20(3,4)5;1-15(2)17-10-8-16(9-11-17)12-14-21-13-6-7-18(20)19(3,4)5;1-15(2)17-13-11-16(12-14-17)9-7-6-8-10-18(20)19(3,4)5;1-14(2)16-12-10-15(11-13-16)8-6-7-9-17(19)18(3,4)5;1-13(2)15-11-9-14(10-12-15)7-6-8-16(18)17(3,4)5;/h16-18H,6-15H2,1-5H3;15-17H,6-14H2,1-5H3;15-17H,6-14H2,1-5H3;14-16H,6-13H2,1-5H3;13-15H,6-12H2,1-5H3;1H4
InChIKeyZXGVLZBRGAWYAU-UHFFFAOYSA-N
XLogP29.16
TPSA94.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds34
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001406.47
LogP ≤ 529.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-6-[2-(4-propan-2-ylcyclohexyl)ethoxy]hexan-3-one;2,2-dimethyl-7-(4-propan-2-ylcyclohexyl)heptan-3-one;2,2-dimethyl-6-(4-propan-2-ylcyclohexyl)hexan-3-one;2,2-dimethyl-9-(4-propan-2-ylcyclohexyl)nonan-3-one;2,2-dimethyl-8-(4-propan-2-ylcyclohexyl)octan-3-one;methane with MolForge

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Related Compounds

6-(5,5-dimethyl-4-oxohexoxy)-2,2-dimethylhexan-3-one
CID 148963643
8-[2-(oxan-4-yl)ethoxy]octanoic acid
CID 164916304
8-[2-(oxan-4-yl)ethoxy]octanamide
CID 175975617
4-methyl-1-(4-propan-2-ylcyclohexyl)pentan-3-one;sulfane
CID 177028159
propan-2-yl 2-(2-cyclopropylethoxy)acetate
CID 106199281
11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione
CID 158079491
2,2-dimethylpropanoyl 2,2-dimethyl-3-(4-propan-2-ylcyclohexyl)propanoate
CID 87815815
1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 154060378
methyl 3-(2-cyclopropylethoxy)propanoate
CID 106199265
1-(4-propan-2-ylcyclohexyl)pentan-3-one
CID 155707148
1-cyclopropyl-6,6-dimethylheptane-1,5-dione
CID 123777763
7-methoxy-2,2-dimethylheptan-3-one
CID 58592140

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[2-(4-propan-2-ylcyclohexyl)ethoxy]hexan-3-one;2,2-dimethyl-7-(4-propan-2-ylcyclohexyl)heptan-3-one;2,2-dimethyl-6-(4-propan-2-ylcyclohexyl)hexan-3-one;2,2-dimethyl-9-(4-propan-2-ylcyclohexyl)nonan-3-one;2,2-dimethyl-8-(4-propan-2-ylcyclohexyl)octan-3-one;methane?
The IUPAC name of 2,2-dimethyl-6-[2-(4-propan-2-ylcyclohexyl)ethoxy]hexan-3-one;2,2-dimethyl-7-(4-propan-2-ylcyclohexyl)heptan-3-one;2,2-dimethyl-6-(4-propan-2-ylcyclohexyl)hexan-3-one;2,2-dimethyl-9-(4-propan-2-ylcyclohexyl)nonan-3-one;2,2-dimethyl-8-(4-propan-2-ylcyclohexyl)octan-3-one;methane (CID 162245455) is 2,2-dimethyl-6-[2-(4-propan-2-ylcyclohexyl)ethoxy]hexan-3-one;2,2-dimethyl-7-(4-propan-2-ylcyclohexyl)heptan-3-one;2,2-dimethyl-6-(4-propan-2-ylcyclohexyl)hexan-3-one;2,2-dimethyl-9-(4-propan-2-ylcyclohexyl)nonan-3-one;2,2-dimethyl-8-(4-propan-2-ylcyclohexyl)octan-3-one;methane.
What is the SMILES notation for 2,2-dimethyl-6-[2-(4-propan-2-ylcyclohexyl)ethoxy]hexan-3-one;2,2-dimethyl-7-(4-propan-2-ylcyclohexyl)heptan-3-one;2,2-dimethyl-6-(4-propan-2-ylcyclohexyl)hexan-3-one;2,2-dimethyl-9-(4-propan-2-ylcyclohexyl)nonan-3-one;2,2-dimethyl-8-(4-propan-2-ylcyclohexyl)octan-3-one;methane?
The canonical SMILES for 2,2-dimethyl-6-[2-(4-propan-2-ylcyclohexyl)ethoxy]hexan-3-one;2,2-dimethyl-7-(4-propan-2-ylcyclohexyl)heptan-3-one;2,2-dimethyl-6-(4-propan-2-ylcyclohexyl)hexan-3-one;2,2-dimethyl-9-(4-propan-2-ylcyclohexyl)nonan-3-one;2,2-dimethyl-8-(4-propan-2-ylcyclohexyl)octan-3-one;methane is C.CC(C)C1CCC(CCCC(=O)C(C)(C)C)CC1.CC(C)C1CCC(CCCCC(=O)C(C)(C)C)CC1.CC(C)C1CCC(CCCCCC(=O)C(C)(C)C)CC1.CC(C)C1CCC(CCCCCCC(=O)C(C)(C)C)CC1.CC(C)C1CCC(CCOCCCC(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-6-[2-(4-propan-2-ylcyclohexyl)ethoxy]hexan-3-one;2,2-dimethyl-7-(4-propan-2-ylcyclohexyl)heptan-3-one;2,2-dimethyl-6-(4-propan-2-ylcyclohexyl)hexan-3-one;2,2-dimethyl-9-(4-propan-2-ylcyclohexyl)nonan-3-one;2,2-dimethyl-8-(4-propan-2-ylcyclohexyl)octan-3-one;methane?
The InChIKey is ZXGVLZBRGAWYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O.C19H36O2.C19H36O.C18H34O.C17H32O.CH4/c1-16(2)18-14-12-17(13-15-18)10-8-6-7-9-11-19(21)20(3,4)5;1-15(2)17-10-8-16(9-11-17)12-14-21-13-6-7-18(20)19(3,4)5;1-15(2)17-13-11-16(12-14-17)9-7-6-8-10-18(20)19(3,4)5;1-14(2)16-12-10-15(11-13-16)8-6-7-9-17(19)18(3,4)5;1-13(2)15-11-9-14(10-12-15)7-6-8-16(18)17(3,4)5;/h16-18H,6-15H2,1-5H3;15-17H,6-14H2,1-5H3;15-17H,6-14H2,1-5H3;14-16H,6-13H2,1-5H3;13-15H,6-12H2,1-5H3;1H4.
What are the key properties of 2,2-dimethyl-6-[2-(4-propan-2-ylcyclohexyl)ethoxy]hexan-3-one;2,2-dimethyl-7-(4-propan-2-ylcyclohexyl)heptan-3-one;2,2-dimethyl-6-(4-propan-2-ylcyclohexyl)hexan-3-one;2,2-dimethyl-9-(4-propan-2-ylcyclohexyl)nonan-3-one;2,2-dimethyl-8-(4-propan-2-ylcyclohexyl)octan-3-one;methane?
2,2-dimethyl-6-[2-(4-propan-2-ylcyclohexyl)ethoxy]hexan-3-one;2,2-dimethyl-7-(4-propan-2-ylcyclohexyl)heptan-3-one;2,2-dimethyl-6-(4-propan-2-ylcyclohexyl)hexan-3-one;2,2-dimethyl-9-(4-propan-2-ylcyclohexyl)nonan-3-one;2,2-dimethyl-8-(4-propan-2-ylcyclohexyl)octan-3-one;methane has a molecular weight of 1406.47 g/mol, XLogP of 29.16, 34 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[2-(4-propan-2-ylcyclohexyl)ethoxy]hexan-3-one;2,2-dimethyl-7-(4-propan-2-ylcyclohexyl)heptan-3-one;2,2-dimethyl-6-(4-propan-2-ylcyclohexyl)hexan-3-one;2,2-dimethyl-9-(4-propan-2-ylcyclohexyl)nonan-3-one;2,2-dimethyl-8-(4-propan-2-ylcyclohexyl)octan-3-one;methane is sourced from PubChem (CID 162245455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).