ethyl-di(octan-4-yl)phosphane

C18H39P — CID 22497528

IUPACethyl-di(octan-4-yl)phosphane
SMILESCCCCC(CCC)P(CC)C(CCC)CCCC
InChIInChI=1S/C18H39P/c1-6-11-15-17(13-8-3)19(10-5)18(14-9-4)16-12-7-2/h17-18H,6-16H2,1-5H3
InChIKeyRTEDZLVDNZVVHW-UHFFFAOYSA-N
MW286.48 g/mol
LogP7.21
Rot. Bonds13

About ethyl-di(octan-4-yl)phosphane

ethyl-di(octan-4-yl)phosphane (PubChem CID 22497528) has the molecular formula C18H39P and a molecular weight of 286.48 g/mol. Its IUPAC name is ethyl-di(octan-4-yl)phosphane.

Molecular Properties

Compound Nameethyl-di(octan-4-yl)phosphane
PubChem CID22497528
Molecular FormulaC18H39P
Molecular Weight286.48 g/mol
Exact Mass286.28
IUPAC Nameethyl-di(octan-4-yl)phosphane
SMILESCCCCC(CCC)P(CC)C(CCC)CCCC
InChIInChI=1S/C18H39P/c1-6-11-15-17(13-8-3)19(10-5)18(14-9-4)16-12-7-2/h17-18H,6-16H2,1-5H3
InChIKeyRTEDZLVDNZVVHW-UHFFFAOYSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.48
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diethyl(octan-4-yl)phosphane
CID 150705111
methyl-di(octan-4-yl)phosphane
CID 22497740
methyl-(2-methylbutan-2-yl)-octan-4-ylphosphane
CID 123427716
tetrabutylphosphanium;tin(4+)
CID 160650774
dihexyl(nonan-4-yl)phosphane
CID 172773657
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
dodecan-5-yl(dioctyl)phosphane
CID 172795592
dibutyl(hexan-3-yl)phosphane;hydrobromide
CID 172717533
butan-2-yl-heptan-3-yl-octylphosphane
CID 144962295
1-dipropylphosphanylpentyl(dipropyl)phosphane
CID 90110051

Frequently Asked Questions

What is the IUPAC name of ethyl-di(octan-4-yl)phosphane?
The IUPAC name of ethyl-di(octan-4-yl)phosphane (CID 22497528) is ethyl-di(octan-4-yl)phosphane.
What is the SMILES notation for ethyl-di(octan-4-yl)phosphane?
The canonical SMILES for ethyl-di(octan-4-yl)phosphane is CCCCC(CCC)P(CC)C(CCC)CCCC.
What is the InChIKey of ethyl-di(octan-4-yl)phosphane?
The InChIKey is RTEDZLVDNZVVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39P/c1-6-11-15-17(13-8-3)19(10-5)18(14-9-4)16-12-7-2/h17-18H,6-16H2,1-5H3.
What are the key properties of ethyl-di(octan-4-yl)phosphane?
ethyl-di(octan-4-yl)phosphane has a molecular weight of 286.48 g/mol, XLogP of 7.21, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-di(octan-4-yl)phosphane is sourced from PubChem (CID 22497528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).