ethane;bis(tetradecanoic acid)

C30H62O4 — CID 160722701

IUPACethane;bis(tetradecanoic acid)
SMILESCC.CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/2C14H28O2.C2H6/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2/h2*2-13H2,1H3,(H,15,16);1-2H3
InChIKeyRTHQXXYYYMUVJH-UHFFFAOYSA-N
MW486.82 g/mol
LogP10.57
Rot. Bonds24

About ethane;bis(tetradecanoic acid)

ethane;bis(tetradecanoic acid) (PubChem CID 160722701) has the molecular formula C30H62O4 and a molecular weight of 486.82 g/mol. Its IUPAC name is ethane;bis(tetradecanoic acid).

Molecular Properties

Compound Nameethane;bis(tetradecanoic acid)
PubChem CID160722701
Molecular FormulaC30H62O4
Molecular Weight486.82 g/mol
Exact Mass486.46
IUPAC Nameethane;bis(tetradecanoic acid)
SMILESCC.CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/2C14H28O2.C2H6/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2/h2*2-13H2,1H3,(H,15,16);1-2H3
InChIKeyRTHQXXYYYMUVJH-UHFFFAOYSA-N
XLogP10.57
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.82
LogP ≤ 510.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;methane;octadecanoic acid
CID 160893009
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269
CID 131882435
CID 131882435

Frequently Asked Questions

What is the IUPAC name of ethane;bis(tetradecanoic acid)?
The IUPAC name of ethane;bis(tetradecanoic acid) (CID 160722701) is ethane;bis(tetradecanoic acid).
What is the SMILES notation for ethane;bis(tetradecanoic acid)?
The canonical SMILES for ethane;bis(tetradecanoic acid) is CC.CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O.
What is the InChIKey of ethane;bis(tetradecanoic acid)?
The InChIKey is RTHQXXYYYMUVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H28O2.C2H6/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2/h2*2-13H2,1H3,(H,15,16);1-2H3.
What are the key properties of ethane;bis(tetradecanoic acid)?
ethane;bis(tetradecanoic acid) has a molecular weight of 486.82 g/mol, XLogP of 10.57, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(tetradecanoic acid) is sourced from PubChem (CID 160722701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).