7-carboxyheptyl(tricyclohexyl)phosphanium

C26H48O2P+ — CID 135362577

IUPAC7-carboxyheptyl(tricyclohexyl)phosphanium
SMILESO=C(O)CCCCCCC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H47O2P/c27-26(28)21-13-2-1-3-14-22-29(23-15-7-4-8-16-23,24-17-9-5-10-18-24)25-19-11-6-12-20-25/h23-25H,1-22H2/p+1
InChIKeyUOKVZHDMMBNIAZ-UHFFFAOYSA-O
MW423.64 g/mol
LogP8.43
Rot. Bonds11

About 7-carboxyheptyl(tricyclohexyl)phosphanium

7-carboxyheptyl(tricyclohexyl)phosphanium (PubChem CID 135362577) has the molecular formula C26H48O2P+ and a molecular weight of 423.64 g/mol. Its IUPAC name is 7-carboxyheptyl(tricyclohexyl)phosphanium.

Molecular Properties

Compound Name7-carboxyheptyl(tricyclohexyl)phosphanium
PubChem CID135362577
Molecular FormulaC26H48O2P+
Molecular Weight423.64 g/mol
Exact Mass423.34
IUPAC Name7-carboxyheptyl(tricyclohexyl)phosphanium
SMILESO=C(O)CCCCCCC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H47O2P/c27-26(28)21-13-2-1-3-14-22-29(23-15-7-4-8-16-23,24-17-9-5-10-18-24)25-19-11-6-12-20-25/h23-25H,1-22H2/p+1
InChIKeyUOKVZHDMMBNIAZ-UHFFFAOYSA-O
XLogP8.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.64
LogP ≤ 58.43
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

8-cyclodecyl-8-hydroxyoctanoic acid
CID 150565467
7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
6-cyclohexyloxy-6-oxohexanoic acid
CID 175099277
triacontanedioic acid
CID 5322010
tris(cyclododecanol);hexadecanoic acid
CID 175985554
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765

Frequently Asked Questions

What is the IUPAC name of 7-carboxyheptyl(tricyclohexyl)phosphanium?
The IUPAC name of 7-carboxyheptyl(tricyclohexyl)phosphanium (CID 135362577) is 7-carboxyheptyl(tricyclohexyl)phosphanium.
What is the SMILES notation for 7-carboxyheptyl(tricyclohexyl)phosphanium?
The canonical SMILES for 7-carboxyheptyl(tricyclohexyl)phosphanium is O=C(O)CCCCCCC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 7-carboxyheptyl(tricyclohexyl)phosphanium?
The InChIKey is UOKVZHDMMBNIAZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H47O2P/c27-26(28)21-13-2-1-3-14-22-29(23-15-7-4-8-16-23,24-17-9-5-10-18-24)25-19-11-6-12-20-25/h23-25H,1-22H2/p+1.
What are the key properties of 7-carboxyheptyl(tricyclohexyl)phosphanium?
7-carboxyheptyl(tricyclohexyl)phosphanium has a molecular weight of 423.64 g/mol, XLogP of 8.43, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carboxyheptyl(tricyclohexyl)phosphanium is sourced from PubChem (CID 135362577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).