10-amino-8-hydroxy-4,8-dimethylundecan-3-one

C13H27NO2 — CID 143260657

IUPAC10-amino-8-hydroxy-4,8-dimethylundecan-3-one
SMILESCCC(=O)C(C)CCCC(C)(O)CC(C)N
InChIInChI=1S/C13H27NO2/c1-5-12(15)10(2)7-6-8-13(4,16)9-11(3)14/h10-11,16H,5-9,14H2,1-4H3
InChIKeyXOWJXXBEEZRMNZ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.26
Rot. Bonds8

About 10-amino-8-hydroxy-4,8-dimethylundecan-3-one

10-amino-8-hydroxy-4,8-dimethylundecan-3-one (PubChem CID 143260657) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 10-amino-8-hydroxy-4,8-dimethylundecan-3-one.

Molecular Properties

Compound Name10-amino-8-hydroxy-4,8-dimethylundecan-3-one
PubChem CID143260657
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name10-amino-8-hydroxy-4,8-dimethylundecan-3-one
SMILESCCC(=O)C(C)CCCC(C)(O)CC(C)N
InChIInChI=1S/C13H27NO2/c1-5-12(15)10(2)7-6-8-13(4,16)9-11(3)14/h10-11,16H,5-9,14H2,1-4H3
InChIKeyXOWJXXBEEZRMNZ-UHFFFAOYSA-N
XLogP2.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-methylheptan-3-one
CID 12696684
6-hydroxy-2,6-dimethyloctanoate
CID 59271296
7-methoxy-4-methylheptan-3-one
CID 63548280
7-ethylsulfonyl-4-methylheptan-3-one
CID 65097723
6-hydroxy-2,6-dimethylnonanoate
CID 59271392
6,10-dihydroxy-2,6,10-trimethylpentadecanoate
CID 59229283
ethyl 3-hydroxy-3,7-dimethyloctanoate
CID 3020061
9-hydroxy-4,7-dimethylnonan-3-one
CID 139899444
10-amino-6-methylundecan-5-one
CID 116574155
8,8-diamino-4-methyloctan-3-one;3,4-ditert-butylphenol
CID 174649569
2-aminopentan-3-one
CID 10986165
6-hydroxy-2,6,10-trimethylpentadecanoate
CID 59229455

Frequently Asked Questions

What is the IUPAC name of 10-amino-8-hydroxy-4,8-dimethylundecan-3-one?
The IUPAC name of 10-amino-8-hydroxy-4,8-dimethylundecan-3-one (CID 143260657) is 10-amino-8-hydroxy-4,8-dimethylundecan-3-one.
What is the SMILES notation for 10-amino-8-hydroxy-4,8-dimethylundecan-3-one?
The canonical SMILES for 10-amino-8-hydroxy-4,8-dimethylundecan-3-one is CCC(=O)C(C)CCCC(C)(O)CC(C)N.
What is the InChIKey of 10-amino-8-hydroxy-4,8-dimethylundecan-3-one?
The InChIKey is XOWJXXBEEZRMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-12(15)10(2)7-6-8-13(4,16)9-11(3)14/h10-11,16H,5-9,14H2,1-4H3.
What are the key properties of 10-amino-8-hydroxy-4,8-dimethylundecan-3-one?
10-amino-8-hydroxy-4,8-dimethylundecan-3-one has a molecular weight of 229.36 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-8-hydroxy-4,8-dimethylundecan-3-one is sourced from PubChem (CID 143260657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).