formic acid;bis(tricyclohexylphosphane)

C37H68O2P2 — CID 174436191

IUPACformic acid;bis(tricyclohexylphosphane)
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.O=CO
InChIInChI=1S/2C18H33P.CH2O2/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1-3/h2*16-18H,1-15H2;1H,(H,2,3)
InChIKeyWGLUDKVWOJDFMI-UHFFFAOYSA-N
MW606.90 g/mol
LogP12.63
Rot. Bonds6

About formic acid;bis(tricyclohexylphosphane)

formic acid;bis(tricyclohexylphosphane) (PubChem CID 174436191) has the molecular formula C37H68O2P2 and a molecular weight of 606.90 g/mol. Its IUPAC name is formic acid;bis(tricyclohexylphosphane).

Molecular Properties

Compound Nameformic acid;bis(tricyclohexylphosphane)
PubChem CID174436191
Molecular FormulaC37H68O2P2
Molecular Weight606.90 g/mol
Exact Mass606.47
IUPAC Nameformic acid;bis(tricyclohexylphosphane)
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.O=CO
InChIInChI=1S/2C18H33P.CH2O2/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1-3/h2*16-18H,1-15H2;1H,(H,2,3)
InChIKeyWGLUDKVWOJDFMI-UHFFFAOYSA-N
XLogP12.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.90
LogP ≤ 512.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze formic acid;bis(tricyclohexylphosphane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tri(cyclooctyl)phosphane
CID 12970661
tri(cyclododecyl)phosphane
CID 19065577
CID 11297590
CID 11297590
silane;tricyclohexylphosphane
CID 158384701
gold(1+);tricyclohexylphosphane
CID 161082953
phosphane;tricyclohexylphosphane
CID 87084185
bis(dicyclohexyl(cyclopentyl)phosphane);iron
CID 44558250
2-methylbut-2-ene;tricyclohexylphosphane
CID 174792774
cobalt(2+);bis(tricyclohexylphosphane);dichloride
CID 171703558
palladium;tricyclopentylphosphane
CID 87488912
palladium(2+);bis(tricyclohexylphosphane);diacetate
CID 11983532
dibromocobalt;bis(tricyclohexylphosphane)
CID 159401861

Frequently Asked Questions

What is the IUPAC name of formic acid;bis(tricyclohexylphosphane)?
The IUPAC name of formic acid;bis(tricyclohexylphosphane) (CID 174436191) is formic acid;bis(tricyclohexylphosphane).
What is the SMILES notation for formic acid;bis(tricyclohexylphosphane)?
The canonical SMILES for formic acid;bis(tricyclohexylphosphane) is C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.O=CO.
What is the InChIKey of formic acid;bis(tricyclohexylphosphane)?
The InChIKey is WGLUDKVWOJDFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H33P.CH2O2/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1-3/h2*16-18H,1-15H2;1H,(H,2,3).
What are the key properties of formic acid;bis(tricyclohexylphosphane)?
formic acid;bis(tricyclohexylphosphane) has a molecular weight of 606.90 g/mol, XLogP of 12.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;bis(tricyclohexylphosphane) is sourced from PubChem (CID 174436191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).