dodecanoic acid;bis(2-methylprop-1-ene)

C20H40O2 — CID 160518474

IUPACdodecanoic acid;bis(2-methylprop-1-ene)
SMILESC=C(C)C.C=C(C)C.CCCCCCCCCCCC(=O)O
InChIInChI=1S/C12H24O2.2C4H8/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-4(2)3/h2-11H2,1H3,(H,13,14);2*1H2,2-3H3
InChIKeyQTYUEEFFNSJNBK-UHFFFAOYSA-N
MW312.54 g/mol
LogP7.16
Rot. Bonds10

About dodecanoic acid;bis(2-methylprop-1-ene)

dodecanoic acid;bis(2-methylprop-1-ene) (PubChem CID 160518474) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is dodecanoic acid;bis(2-methylprop-1-ene).

Molecular Properties

Compound Namedodecanoic acid;bis(2-methylprop-1-ene)
PubChem CID160518474
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Namedodecanoic acid;bis(2-methylprop-1-ene)
SMILESC=C(C)C.C=C(C)C.CCCCCCCCCCCC(=O)O
InChIInChI=1S/C12H24O2.2C4H8/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-4(2)3/h2-11H2,1H3,(H,13,14);2*1H2,2-3H3
InChIKeyQTYUEEFFNSJNBK-UHFFFAOYSA-N
XLogP7.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylprop-2-enoic acid);octadecanoic acid
CID 158142105
ethene;pentadecanoic acid
CID 158692309
hexadecanoic acid;propan-2-one
CID 87722461
acetic acid;decanoic acid
CID 159015360
decanoic acid;propan-2-one
CID 158596023
ethene;bis(octadecanoic acid)
CID 158437449
ethene;bis(hexadecanoic acid)
CID 159407360
CID 131882435
CID 131882435
pentacosanoic acid
CID 10468
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tricosanoic acid
CID 175935357

Frequently Asked Questions

What is the IUPAC name of dodecanoic acid;bis(2-methylprop-1-ene)?
The IUPAC name of dodecanoic acid;bis(2-methylprop-1-ene) (CID 160518474) is dodecanoic acid;bis(2-methylprop-1-ene).
What is the SMILES notation for dodecanoic acid;bis(2-methylprop-1-ene)?
The canonical SMILES for dodecanoic acid;bis(2-methylprop-1-ene) is C=C(C)C.C=C(C)C.CCCCCCCCCCCC(=O)O.
What is the InChIKey of dodecanoic acid;bis(2-methylprop-1-ene)?
The InChIKey is QTYUEEFFNSJNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.2C4H8/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-4(2)3/h2-11H2,1H3,(H,13,14);2*1H2,2-3H3.
What are the key properties of dodecanoic acid;bis(2-methylprop-1-ene)?
dodecanoic acid;bis(2-methylprop-1-ene) has a molecular weight of 312.54 g/mol, XLogP of 7.16, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanoic acid;bis(2-methylprop-1-ene) is sourced from PubChem (CID 160518474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).