butan-2-yl-heptan-3-yl-octylphosphane

C19H41P — CID 144962295

IUPACbutan-2-yl-heptan-3-yl-octylphosphane
SMILESCCCCCCCCP(C(C)CC)C(CC)CCCC
InChIInChI=1S/C19H41P/c1-6-10-12-13-14-15-17-20(18(5)8-3)19(9-4)16-11-7-2/h18-19H,6-17H2,1-5H3
InChIKeyHJWYDDCQWPKKCS-UHFFFAOYSA-N
MW300.51 g/mol
LogP7.60
Rot. Bonds14

About butan-2-yl-heptan-3-yl-octylphosphane

butan-2-yl-heptan-3-yl-octylphosphane (PubChem CID 144962295) has the molecular formula C19H41P and a molecular weight of 300.51 g/mol. Its IUPAC name is butan-2-yl-heptan-3-yl-octylphosphane.

Molecular Properties

Compound Namebutan-2-yl-heptan-3-yl-octylphosphane
PubChem CID144962295
Molecular FormulaC19H41P
Molecular Weight300.51 g/mol
Exact Mass300.29
IUPAC Namebutan-2-yl-heptan-3-yl-octylphosphane
SMILESCCCCCCCCP(C(C)CC)C(CC)CCCC
InChIInChI=1S/C19H41P/c1-6-10-12-13-14-15-17-20(18(5)8-3)19(9-4)16-11-7-2/h18-19H,6-17H2,1-5H3
InChIKeyHJWYDDCQWPKKCS-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.51
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

decan-3-yl(dioctyl)phosphane
CID 150488617
dodecan-5-yl(dioctyl)phosphane
CID 172795592
butyl-di(hexan-2-yl)phosphane
CID 22497719
diheptyl(pentan-3-yl)phosphane
CID 87508325
tri(heptadecan-3-yl)phosphane
CID 90112441
dioctyl(tetracosan-8-yl)phosphane
CID 159416945
azane;nonan-2-yl(dioctyl)phosphane
CID 172807028
dihexyl(nonan-4-yl)phosphane
CID 172773657
3-methylheptane;octane
CID 144782281
diheptyl(propan-2-yl)phosphane
CID 22497662
4-ethyloctyl(dioctyl)phosphane
CID 23219464
butyl(triheptyl)phosphanium
CID 87777247

Frequently Asked Questions

What is the IUPAC name of butan-2-yl-heptan-3-yl-octylphosphane?
The IUPAC name of butan-2-yl-heptan-3-yl-octylphosphane (CID 144962295) is butan-2-yl-heptan-3-yl-octylphosphane.
What is the SMILES notation for butan-2-yl-heptan-3-yl-octylphosphane?
The canonical SMILES for butan-2-yl-heptan-3-yl-octylphosphane is CCCCCCCCP(C(C)CC)C(CC)CCCC.
What is the InChIKey of butan-2-yl-heptan-3-yl-octylphosphane?
The InChIKey is HJWYDDCQWPKKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41P/c1-6-10-12-13-14-15-17-20(18(5)8-3)19(9-4)16-11-7-2/h18-19H,6-17H2,1-5H3.
What are the key properties of butan-2-yl-heptan-3-yl-octylphosphane?
butan-2-yl-heptan-3-yl-octylphosphane has a molecular weight of 300.51 g/mol, XLogP of 7.60, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-heptan-3-yl-octylphosphane is sourced from PubChem (CID 144962295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).