2,2-di(propan-2-yl)nonanedioate

C15H26O4-2 — CID 18794999

IUPAC2,2-di(propan-2-yl)nonanedioate
SMILESCC(C)C(CCCCCCC(=O)[O-])(C(=O)[O-])C(C)C
InChIInChI=1S/C15H28O4/c1-11(2)15(12(3)4,14(18)19)10-8-6-5-7-9-13(16)17/h11-12H,5-10H2,1-4H3,(H,16,17)(H,18,19)/p-2
InChIKeyFMFFBDRWUPBADI-UHFFFAOYSA-L
MW270.37 g/mol
LogP1.13
Rot. Bonds10

About 2,2-di(propan-2-yl)nonanedioate

2,2-di(propan-2-yl)nonanedioate (PubChem CID 18794999) has the molecular formula C15H26O4-2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2,2-di(propan-2-yl)nonanedioate.

Molecular Properties

Compound Name2,2-di(propan-2-yl)nonanedioate
PubChem CID18794999
Molecular FormulaC15H26O4-2
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2,2-di(propan-2-yl)nonanedioate
SMILESCC(C)C(CCCCCCC(=O)[O-])(C(=O)[O-])C(C)C
InChIInChI=1S/C15H28O4/c1-11(2)15(12(3)4,14(18)19)10-8-6-5-7-9-13(16)17/h11-12H,5-10H2,1-4H3,(H,16,17)(H,18,19)/p-2
InChIKeyFMFFBDRWUPBADI-UHFFFAOYSA-L
XLogP1.13
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

calcium decanedioate
CID 11637296
calcium heptanedioate
CID 71587031
calcium undecanedioate
CID 140969229
calcium;6,6-dimethylheptanoate;8,8-dimethylnonanoate
CID 56844065
7,7-dimethyloctanoate
CID 21225528
azanium 19,19-dimethylicosanoate
CID 141464670
bis(7,7-dimethyloctanoate);manganese(2+)
CID 22315822
tetrakis(7,7-dimethyloctanoate);molybdenum(4+)
CID 161322125
calcium bis(16-methylheptadecanoate)
CID 6453880
tridecanedioate
CID 6994474
2,2-di(propan-2-yl)decanediamide
CID 174837671
calcium;7,7-dimethyloctanoate;7-methyloctanoate
CID 56843801

Frequently Asked Questions

What is the IUPAC name of 2,2-di(propan-2-yl)nonanedioate?
The IUPAC name of 2,2-di(propan-2-yl)nonanedioate (CID 18794999) is 2,2-di(propan-2-yl)nonanedioate.
What is the SMILES notation for 2,2-di(propan-2-yl)nonanedioate?
The canonical SMILES for 2,2-di(propan-2-yl)nonanedioate is CC(C)C(CCCCCCC(=O)[O-])(C(=O)[O-])C(C)C.
What is the InChIKey of 2,2-di(propan-2-yl)nonanedioate?
The InChIKey is FMFFBDRWUPBADI-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H28O4/c1-11(2)15(12(3)4,14(18)19)10-8-6-5-7-9-13(16)17/h11-12H,5-10H2,1-4H3,(H,16,17)(H,18,19)/p-2.
What are the key properties of 2,2-di(propan-2-yl)nonanedioate?
2,2-di(propan-2-yl)nonanedioate has a molecular weight of 270.37 g/mol, XLogP of 1.13, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(propan-2-yl)nonanedioate is sourced from PubChem (CID 18794999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).