hexanoic acid;tetradecylphosphane

C20H43O2P — CID 175307671

IUPAChexanoic acid;tetradecylphosphane
SMILESCCCCCC(=O)O.CCCCCCCCCCCCCCP
InChIInChI=1S/C14H31P.C6H12O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-3-4-5-6(7)8/h2-15H2,1H3;2-5H2,1H3,(H,7,8)
InChIKeyCARUGQVLJBEDQK-UHFFFAOYSA-N
MW346.54 g/mol
LogP7.21
Rot. Bonds16

About hexanoic acid;tetradecylphosphane

hexanoic acid;tetradecylphosphane (PubChem CID 175307671) has the molecular formula C20H43O2P and a molecular weight of 346.54 g/mol. Its IUPAC name is hexanoic acid;tetradecylphosphane.

Molecular Properties

Compound Namehexanoic acid;tetradecylphosphane
PubChem CID175307671
Molecular FormulaC20H43O2P
Molecular Weight346.54 g/mol
Exact Mass346.30
IUPAC Namehexanoic acid;tetradecylphosphane
SMILESCCCCCC(=O)O.CCCCCCCCCCCCCCP
InChIInChI=1S/C14H31P.C6H12O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-3-4-5-6(7)8/h2-15H2,1H3;2-5H2,1H3,(H,7,8)
InChIKeyCARUGQVLJBEDQK-UHFFFAOYSA-N
XLogP7.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.54
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
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

Frequently Asked Questions

What is the IUPAC name of hexanoic acid;tetradecylphosphane?
The IUPAC name of hexanoic acid;tetradecylphosphane (CID 175307671) is hexanoic acid;tetradecylphosphane.
What is the SMILES notation for hexanoic acid;tetradecylphosphane?
The canonical SMILES for hexanoic acid;tetradecylphosphane is CCCCCC(=O)O.CCCCCCCCCCCCCCP.
What is the InChIKey of hexanoic acid;tetradecylphosphane?
The InChIKey is CARUGQVLJBEDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31P.C6H12O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-3-4-5-6(7)8/h2-15H2,1H3;2-5H2,1H3,(H,7,8).
What are the key properties of hexanoic acid;tetradecylphosphane?
hexanoic acid;tetradecylphosphane has a molecular weight of 346.54 g/mol, XLogP of 7.21, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexanoic acid;tetradecylphosphane is sourced from PubChem (CID 175307671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).