2,10-dimethyldodecan-3-one;2,11-dimethyldodecan-3-one;2-methylhept-6-yn-3-one;4-methyl-1-naphthalen-2-ylpentan-3-one;2-methyl-7-phenylheptan-3-one;4-methyl-1-phenylpentan-3-one;3-methyl-1-(4-phenylphenyl)butan-2-one;2-methyltetradecan-3-one

C110H170O8 — CID 157116126

IUPAC2,10-dimethyldodecan-3-one;2,11-dimethyldodecan-3-one;2-methylhept-6-yn-3-one;4-methyl-1-naphthalen-2-ylpentan-3-one;2-methyl-7-phenylheptan-3-one;4-methyl-1-phenylpentan-3-one;3-methyl-1-(4-phenylphenyl)butan-2-one;2-methyltetradecan-3-one
SMILESC#CCCC(=O)C(C)C.CC(C)C(=O)CCCCc1ccccc1.CC(C)C(=O)CCc1ccc2ccccc2c1.CC(C)C(=O)CCc1ccccc1.CC(C)C(=O)Cc1ccc(-c2ccccc2)cc1.CC(C)CCCCCCCC(=O)C(C)C.CCC(C)CCCCCCC(=O)C(C)C.CCCCCCCCCCCC(=O)C(C)C
InChIInChI=1S/C17H18O.C16H18O.C15H30O.C14H20O.2C14H28O.C12H16O.C8H12O/c1-13(2)17(18)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15;1-12(2)16(17)10-8-13-7-9-14-5-3-4-6-15(14)11-13;1-4-5-6-7-8-9-10-11-12-13-15(16)14(2)3;1-12(2)14(15)11-7-6-10-13-8-4-3-5-9-13;1-12(2)10-8-6-5-7-9-11-14(15)13(3)4;1-5-13(4)10-8-6-7-9-11-14(15)12(2)3;1-10(2)12(13)9-8-11-6-4-3-5-7-11;1-4-5-6-8(9)7(2)3/h3-11,13H,12H2,1-2H3;3-7,9,11-12H,8,10H2,1-2H3;14H,4-13H2,1-3H3;3-5,8-9,12H,6-7,10-11H2,1-2H3;2*12-13H,5-11H2,1-4H3;3-7,10H,8-9H2,1-2H3;1,7H,5-6H2,2-3H3
InChIKeyAHKSBOMJZQFXDF-UHFFFAOYSA-N
MW1620.56 g/mol
LogP30.54
Rot. Bonds50

About 2,10-dimethyldodecan-3-one;2,11-dimethyldodecan-3-one;2-methylhept-6-yn-3-one;4-methyl-1-naphthalen-2-ylpentan-3-one;2-methyl-7-phenylheptan-3-one;4-methyl-1-phenylpentan-3-one;3-methyl-1-(4-phenylphenyl)butan-2-one;2-methyltetradecan-3-one

2,10-dimethyldodecan-3-one;2,11-dimethyldodecan-3-one;2-methylhept-6-yn-3-one;4-methyl-1-naphthalen-2-ylpentan-3-one;2-methyl-7-phenylheptan-3-one;4-methyl-1-phenylpentan-3-one;3-methyl-1-(4-phenylphenyl)butan-2-one;2-methyltetradecan-3-one (PubChem CID 157116126) has the molecular formula C110H170O8 and a molecular weight of 1620.56 g/mol. Its IUPAC name is 2,10-dimethyldodecan-3-one;2,11-dimethyldodecan-3-one;2-methylhept-6-yn-3-one;4-methyl-1-naphthalen-2-ylpentan-3-one;2-methyl-7-phenylheptan-3-one;4-methyl-1-phenylpentan-3-one;3-methyl-1-(4-phenylphenyl)butan-2-one;2-methyltetradecan-3-one.

Molecular Properties

Compound Name2,10-dimethyldodecan-3-one;2,11-dimethyldodecan-3-one;2-methylhept-6-yn-3-one;4-methyl-1-naphthalen-2-ylpentan-3-one;2-methyl-7-phenylheptan-3-one;4-methyl-1-phenylpentan-3-one;3-methyl-1-(4-phenylphenyl)butan-2-one;2-methyltetradecan-3-one
PubChem CID157116126
Molecular FormulaC110H170O8
Molecular Weight1620.56 g/mol
Exact Mass1619.29
IUPAC Name2,10-dimethyldodecan-3-one;2,11-dimethyldodecan-3-one;2-methylhept-6-yn-3-one;4-methyl-1-naphthalen-2-ylpentan-3-one;2-methyl-7-phenylheptan-3-one;4-methyl-1-phenylpentan-3-one;3-methyl-1-(4-phenylphenyl)butan-2-one;2-methyltetradecan-3-one
SMILESC#CCCC(=O)C(C)C.CC(C)C(=O)CCCCc1ccccc1.CC(C)C(=O)CCc1ccc2ccccc2c1.CC(C)C(=O)CCc1ccccc1.CC(C)C(=O)Cc1ccc(-c2ccccc2)cc1.CC(C)CCCCCCCC(=O)C(C)C.CCC(C)CCCCCCC(=O)C(C)C.CCCCCCCCCCCC(=O)C(C)C
InChIInChI=1S/C17H18O.C16H18O.C15H30O.C14H20O.2C14H28O.C12H16O.C8H12O/c1-13(2)17(18)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15;1-12(2)16(17)10-8-13-7-9-14-5-3-4-6-15(14)11-13;1-4-5-6-7-8-9-10-11-12-13-15(16)14(2)3;1-12(2)14(15)11-7-6-10-13-8-4-3-5-9-13;1-12(2)10-8-6-5-7-9-11-14(15)13(3)4;1-5-13(4)10-8-6-7-9-11-14(15)12(2)3;1-10(2)12(13)9-8-11-6-4-3-5-7-11;1-4-5-6-8(9)7(2)3/h3-11,13H,12H2,1-2H3;3-7,9,11-12H,8,10H2,1-2H3;14H,4-13H2,1-3H3;3-5,8-9,12H,6-7,10-11H2,1-2H3;2*12-13H,5-11H2,1-4H3;3-7,10H,8-9H2,1-2H3;1,7H,5-6H2,2-3H3
InChIKeyAHKSBOMJZQFXDF-UHFFFAOYSA-N
XLogP30.54
TPSA136.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds50
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001620.56
LogP ≤ 530.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,10-dimethyldodecan-3-one;2,11-dimethyldodecan-3-one;2-methylhept-6-yn-3-one;4-methyl-1-naphthalen-2-ylpentan-3-one;2-methyl-7-phenylheptan-3-one;4-methyl-1-phenylpentan-3-one;3-methyl-1-(4-phenylphenyl)butan-2-one;2-methyltetradecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-9-phenylnonan-3-one
CID 58366233
(4S)-4-methyl-1-phenyldecan-3-one
CID 134925721
2-methyl-7-phenylheptan-3-one
CID 13129845
(3S)-3-methyl-1-phenyltridecan-4-one
CID 157198847
(3S)-3-methyl-1-phenylpentadecan-4-one
CID 158218990
ethane;2-hexylnaphthalene
CID 142191207
2-methylnonyl 9-phenylnonanoate
CID 153439717
6-nitro-1-phenyldodecan-5-one
CID 46848520
4-naphthalen-2-ylbutyl nonyl carbonate
CID 102088379
10-naphthalen-2-yldecanoic acid
CID 21478009
6-naphthalen-2-ylhexan-2-ol
CID 19933710
1-(8-methylnonyl)-4-pentylbenzene
CID 158864216

Frequently Asked Questions

What is the IUPAC name of 2,10-dimethyldodecan-3-one;2,11-dimethyldodecan-3-one;2-methylhept-6-yn-3-one;4-methyl-1-naphthalen-2-ylpentan-3-one;2-methyl-7-phenylheptan-3-one;4-methyl-1-phenylpentan-3-one;3-methyl-1-(4-phenylphenyl)butan-2-one;2-methyltetradecan-3-one?
The IUPAC name of 2,10-dimethyldodecan-3-one;2,11-dimethyldodecan-3-one;2-methylhept-6-yn-3-one;4-methyl-1-naphthalen-2-ylpentan-3-one;2-methyl-7-phenylheptan-3-one;4-methyl-1-phenylpentan-3-one;3-methyl-1-(4-phenylphenyl)butan-2-one;2-methyltetradecan-3-one (CID 157116126) is 2,10-dimethyldodecan-3-one;2,11-dimethyldodecan-3-one;2-methylhept-6-yn-3-one;4-methyl-1-naphthalen-2-ylpentan-3-one;2-methyl-7-phenylheptan-3-one;4-methyl-1-phenylpentan-3-one;3-methyl-1-(4-phenylphenyl)butan-2-one;2-methyltetradecan-3-one.
What is the SMILES notation for 2,10-dimethyldodecan-3-one;2,11-dimethyldodecan-3-one;2-methylhept-6-yn-3-one;4-methyl-1-naphthalen-2-ylpentan-3-one;2-methyl-7-phenylheptan-3-one;4-methyl-1-phenylpentan-3-one;3-methyl-1-(4-phenylphenyl)butan-2-one;2-methyltetradecan-3-one?
The canonical SMILES for 2,10-dimethyldodecan-3-one;2,11-dimethyldodecan-3-one;2-methylhept-6-yn-3-one;4-methyl-1-naphthalen-2-ylpentan-3-one;2-methyl-7-phenylheptan-3-one;4-methyl-1-phenylpentan-3-one;3-methyl-1-(4-phenylphenyl)butan-2-one;2-methyltetradecan-3-one is C#CCCC(=O)C(C)C.CC(C)C(=O)CCCCc1ccccc1.CC(C)C(=O)CCc1ccc2ccccc2c1.CC(C)C(=O)CCc1ccccc1.CC(C)C(=O)Cc1ccc(-c2ccccc2)cc1.CC(C)CCCCCCCC(=O)C(C)C.CCC(C)CCCCCCC(=O)C(C)C.CCCCCCCCCCCC(=O)C(C)C.
What is the InChIKey of 2,10-dimethyldodecan-3-one;2,11-dimethyldodecan-3-one;2-methylhept-6-yn-3-one;4-methyl-1-naphthalen-2-ylpentan-3-one;2-methyl-7-phenylheptan-3-one;4-methyl-1-phenylpentan-3-one;3-methyl-1-(4-phenylphenyl)butan-2-one;2-methyltetradecan-3-one?
The InChIKey is AHKSBOMJZQFXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O.C16H18O.C15H30O.C14H20O.2C14H28O.C12H16O.C8H12O/c1-13(2)17(18)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15;1-12(2)16(17)10-8-13-7-9-14-5-3-4-6-15(14)11-13;1-4-5-6-7-8-9-10-11-12-13-15(16)14(2)3;1-12(2)14(15)11-7-6-10-13-8-4-3-5-9-13;1-12(2)10-8-6-5-7-9-11-14(15)13(3)4;1-5-13(4)10-8-6-7-9-11-14(15)12(2)3;1-10(2)12(13)9-8-11-6-4-3-5-7-11;1-4-5-6-8(9)7(2)3/h3-11,13H,12H2,1-2H3;3-7,9,11-12H,8,10H2,1-2H3;14H,4-13H2,1-3H3;3-5,8-9,12H,6-7,10-11H2,1-2H3;2*12-13H,5-11H2,1-4H3;3-7,10H,8-9H2,1-2H3;1,7H,5-6H2,2-3H3.
What are the key properties of 2,10-dimethyldodecan-3-one;2,11-dimethyldodecan-3-one;2-methylhept-6-yn-3-one;4-methyl-1-naphthalen-2-ylpentan-3-one;2-methyl-7-phenylheptan-3-one;4-methyl-1-phenylpentan-3-one;3-methyl-1-(4-phenylphenyl)butan-2-one;2-methyltetradecan-3-one?
2,10-dimethyldodecan-3-one;2,11-dimethyldodecan-3-one;2-methylhept-6-yn-3-one;4-methyl-1-naphthalen-2-ylpentan-3-one;2-methyl-7-phenylheptan-3-one;4-methyl-1-phenylpentan-3-one;3-methyl-1-(4-phenylphenyl)butan-2-one;2-methyltetradecan-3-one has a molecular weight of 1620.56 g/mol, XLogP of 30.54, 50 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dimethyldodecan-3-one;2,11-dimethyldodecan-3-one;2-methylhept-6-yn-3-one;4-methyl-1-naphthalen-2-ylpentan-3-one;2-methyl-7-phenylheptan-3-one;4-methyl-1-phenylpentan-3-one;3-methyl-1-(4-phenylphenyl)butan-2-one;2-methyltetradecan-3-one is sourced from PubChem (CID 157116126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).