8-methyl-2,2-di(propan-2-yloxy)nonanoic acid

C16H32O4 — CID 151292134

IUPAC8-methyl-2,2-di(propan-2-yloxy)nonanoic acid
SMILESCC(C)CCCCCC(OC(C)C)(OC(C)C)C(=O)O
InChIInChI=1S/C16H32O4/c1-12(2)10-8-7-9-11-16(15(17)18,19-13(3)4)20-14(5)6/h12-14H,7-11H2,1-6H3,(H,17,18)
InChIKeyOAQMOWDSLYYQQA-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.22
Rot. Bonds11

About 8-methyl-2,2-di(propan-2-yloxy)nonanoic acid

8-methyl-2,2-di(propan-2-yloxy)nonanoic acid (PubChem CID 151292134) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is 8-methyl-2,2-di(propan-2-yloxy)nonanoic acid.

Molecular Properties

Compound Name8-methyl-2,2-di(propan-2-yloxy)nonanoic acid
PubChem CID151292134
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name8-methyl-2,2-di(propan-2-yloxy)nonanoic acid
SMILESCC(C)CCCCCC(OC(C)C)(OC(C)C)C(=O)O
InChIInChI=1S/C16H32O4/c1-12(2)10-8-7-9-11-16(15(17)18,19-13(3)4)20-14(5)6/h12-14H,7-11H2,1-6H3,(H,17,18)
InChIKeyOAQMOWDSLYYQQA-UHFFFAOYSA-N
XLogP4.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-diethyl-8-methylnonanoic acid
CID 162011616
potassium;2,2-bis(6-methylheptoxy)dodecanoic acid;dihydrogen phosphate
CID 175401565
alumane;2,2-di(propan-2-yloxy)butanoic acid
CID 174388834
2,2-bis(8-methylnonyl)nonanedioic acid
CID 19001151
2,2-bis(10-methylundecyl)hexanedioic acid
CID 88541306
2,2-bis(10-methylundecyl)pentanedioic acid
CID 88541395
2,2-bis(6-methylheptyl)hexanedioic acid
CID 18785345
16-methyl-2,2-di(prop-2-enoyl)heptadecanoic acid
CID 87576273
7,7,14-trimethylpentadecanoic acid
CID 91490028
6,6-dimethylheptanoic acid;7-methyloctanoic acid
CID 158485923
2-(5,5-dimethylhexyl)-2-(6-methylheptyl)tetradecanoic acid
CID 91372377
copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid
CID 91844645

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,2-di(propan-2-yloxy)nonanoic acid?
The IUPAC name of 8-methyl-2,2-di(propan-2-yloxy)nonanoic acid (CID 151292134) is 8-methyl-2,2-di(propan-2-yloxy)nonanoic acid.
What is the SMILES notation for 8-methyl-2,2-di(propan-2-yloxy)nonanoic acid?
The canonical SMILES for 8-methyl-2,2-di(propan-2-yloxy)nonanoic acid is CC(C)CCCCCC(OC(C)C)(OC(C)C)C(=O)O.
What is the InChIKey of 8-methyl-2,2-di(propan-2-yloxy)nonanoic acid?
The InChIKey is OAQMOWDSLYYQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4/c1-12(2)10-8-7-9-11-16(15(17)18,19-13(3)4)20-14(5)6/h12-14H,7-11H2,1-6H3,(H,17,18).
What are the key properties of 8-methyl-2,2-di(propan-2-yloxy)nonanoic acid?
8-methyl-2,2-di(propan-2-yloxy)nonanoic acid has a molecular weight of 288.43 g/mol, XLogP of 4.22, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,2-di(propan-2-yloxy)nonanoic acid is sourced from PubChem (CID 151292134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).