ethane;2-methyl-1-(4-propylphenyl)butan-1-one;molecular hydrogen

C18H34O — CID 156886026

IUPACethane;2-methyl-1-(4-propylphenyl)butan-1-one;molecular hydrogen
SMILESCC.CC.CCCc1ccc(C(=O)C(C)CC)cc1.[H][H]
InChIInChI=1S/C14H20O.2C2H6.H2/c1-4-6-12-7-9-13(10-8-12)14(15)11(3)5-2;2*1-2;/h7-11H,4-6H2,1-3H3;2*1-2H3;1H
InChIKeyANVVTOCVTYWVRN-UHFFFAOYSA-N
MW266.47 g/mol
LogP6.17
Rot. Bonds5

About ethane;2-methyl-1-(4-propylphenyl)butan-1-one;molecular hydrogen

ethane;2-methyl-1-(4-propylphenyl)butan-1-one;molecular hydrogen (PubChem CID 156886026) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is ethane;2-methyl-1-(4-propylphenyl)butan-1-one;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-methyl-1-(4-propylphenyl)butan-1-one;molecular hydrogen
PubChem CID156886026
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Nameethane;2-methyl-1-(4-propylphenyl)butan-1-one;molecular hydrogen
SMILESCC.CC.CCCc1ccc(C(=O)C(C)CC)cc1.[H][H]
InChIInChI=1S/C14H20O.2C2H6.H2/c1-4-6-12-7-9-13(10-8-12)14(15)11(3)5-2;2*1-2;/h7-11H,4-6H2,1-3H3;2*1-2H3;1H
InChIKeyANVVTOCVTYWVRN-UHFFFAOYSA-N
XLogP6.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(4-propylphenyl)propan-1-one
CID 14770313
1-(4-acetylphenyl)-2-methylbutan-1-one;ethane
CID 178178337
3-amino-2-methyl-1-(4-propylphenyl)butan-1-one
CID 116612122
2,2-dimethoxy-1-(4-propylphenyl)ethanone
CID 79493319
ethane;4-propylbenzoic acid
CID 91047964
1-(4-tert-butylphenyl)-2-methylbutan-1-one
CID 13467807
2-amino-3-hydroxy-1-(4-propylphenyl)propan-1-one
CID 116920613
bis(4-propylbenzoyl) 2,4-dimethylpentanedioate
CID 172743150
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate
CID 82349363
(3S,5S)-heptane-3,5-diol;bis(4-propylbenzoic acid)
CID 121293611
2-methyl-1-(4-octadecylphenyl)propan-1-one
CID 14770317

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-(4-propylphenyl)butan-1-one;molecular hydrogen?
The IUPAC name of ethane;2-methyl-1-(4-propylphenyl)butan-1-one;molecular hydrogen (CID 156886026) is ethane;2-methyl-1-(4-propylphenyl)butan-1-one;molecular hydrogen.
What is the SMILES notation for ethane;2-methyl-1-(4-propylphenyl)butan-1-one;molecular hydrogen?
The canonical SMILES for ethane;2-methyl-1-(4-propylphenyl)butan-1-one;molecular hydrogen is CC.CC.CCCc1ccc(C(=O)C(C)CC)cc1.[H][H].
What is the InChIKey of ethane;2-methyl-1-(4-propylphenyl)butan-1-one;molecular hydrogen?
The InChIKey is ANVVTOCVTYWVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O.2C2H6.H2/c1-4-6-12-7-9-13(10-8-12)14(15)11(3)5-2;2*1-2;/h7-11H,4-6H2,1-3H3;2*1-2H3;1H.
What are the key properties of ethane;2-methyl-1-(4-propylphenyl)butan-1-one;molecular hydrogen?
ethane;2-methyl-1-(4-propylphenyl)butan-1-one;molecular hydrogen has a molecular weight of 266.47 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-(4-propylphenyl)butan-1-one;molecular hydrogen is sourced from PubChem (CID 156886026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).