amino 7,7-dimethyloctanoate

C10H21NO2 — CID 156697995

IUPACamino 7,7-dimethyloctanoate
SMILESCC(C)(C)CCCCCC(=O)ON
InChIInChI=1S/C10H21NO2/c1-10(2,3)8-6-4-5-7-9(12)13-11/h4-8,11H2,1-3H3
InChIKeyGXCZDBQDYCGMRW-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.40
Rot. Bonds5

About amino 7,7-dimethyloctanoate

amino 7,7-dimethyloctanoate (PubChem CID 156697995) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is amino 7,7-dimethyloctanoate.

Molecular Properties

Compound Nameamino 7,7-dimethyloctanoate
PubChem CID156697995
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameamino 7,7-dimethyloctanoate
SMILESCC(C)(C)CCCCCC(=O)ON
InChIInChI=1S/C10H21NO2/c1-10(2,3)8-6-4-5-7-9(12)13-11/h4-8,11H2,1-3H3
InChIKeyGXCZDBQDYCGMRW-UHFFFAOYSA-N
XLogP2.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 162111833
CID 162111833
9,9-dimethyldecanoyl 9,9-dimethyldecanoate
CID 141055153
diamino tetradecanedioate
CID 174564109
7-O-amino 1-O-tert-butyl heptanedioate
CID 87227654
2-(7,7-dimethyloctanoyloxy)acetic acid
CID 159639986
methyl 6,6-dimethylheptanoate
CID 20777196
2-methylpropyl 7,7-dimethyloctanoate
CID 118937193
prop-2-enyl 7,7-dimethyloctanoate
CID 87357056
sodium;diamino heptanedioate;hydride
CID 174435177
bromo 6,6-dimethylheptanoate
CID 174457902
[9,9-dimethyldecanoyloxy(dimethyl)stannyl] 9,9-dimethyldecanoate
CID 140559199
decyl 6,6-dimethylheptanoate
CID 141285002

Frequently Asked Questions

What is the IUPAC name of amino 7,7-dimethyloctanoate?
The IUPAC name of amino 7,7-dimethyloctanoate (CID 156697995) is amino 7,7-dimethyloctanoate.
What is the SMILES notation for amino 7,7-dimethyloctanoate?
The canonical SMILES for amino 7,7-dimethyloctanoate is CC(C)(C)CCCCCC(=O)ON.
What is the InChIKey of amino 7,7-dimethyloctanoate?
The InChIKey is GXCZDBQDYCGMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,3)8-6-4-5-7-9(12)13-11/h4-8,11H2,1-3H3.
What are the key properties of amino 7,7-dimethyloctanoate?
amino 7,7-dimethyloctanoate has a molecular weight of 187.28 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino 7,7-dimethyloctanoate is sourced from PubChem (CID 156697995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).