(5-butyl-6-ethyldodecan-5-yl)phosphane

C18H39P — CID 87508969

IUPAC(5-butyl-6-ethyldodecan-5-yl)phosphane
SMILESCCCCCCC(CC)C(P)(CCCC)CCCC
InChIInChI=1S/C18H39P/c1-5-9-12-13-14-17(8-4)18(19,15-10-6-2)16-11-7-3/h17H,5-16,19H2,1-4H3
InChIKeyHQHFXYNADLPOTA-UHFFFAOYSA-N
MW286.48 g/mol
LogP6.98
Rot. Bonds13

About (5-butyl-6-ethyldodecan-5-yl)phosphane

(5-butyl-6-ethyldodecan-5-yl)phosphane (PubChem CID 87508969) has the molecular formula C18H39P and a molecular weight of 286.48 g/mol. Its IUPAC name is (5-butyl-6-ethyldodecan-5-yl)phosphane.

Molecular Properties

Compound Name(5-butyl-6-ethyldodecan-5-yl)phosphane
PubChem CID87508969
Molecular FormulaC18H39P
Molecular Weight286.48 g/mol
Exact Mass286.28
IUPAC Name(5-butyl-6-ethyldodecan-5-yl)phosphane
SMILESCCCCCCC(CC)C(P)(CCCC)CCCC
InChIInChI=1S/C18H39P/c1-5-9-12-13-14-17(8-4)18(19,15-10-6-2)16-11-7-3/h17H,5-16,19H2,1-4H3
InChIKeyHQHFXYNADLPOTA-UHFFFAOYSA-N
XLogP6.98
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 ≤ 56.98
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

(5-butyl-6-propylnonadecan-5-yl)phosphane
CID 22597089
(5-butyl-6-propyltetradecan-5-yl)phosphane
CID 22596996
7,8-dihexylicosan-7-ylphosphane
CID 18442252
9,10-dioctyloctadecan-9-ylphosphane
CID 18997725
8,9-diheptylhenicosan-8-ylphosphane
CID 87777798
8,9-diheptylhexadecan-8-ylphosphane;hydroiodide
CID 173157506
7,8-dihexylheptadecan-7-ylphosphane;hydrobromide
CID 173157969
7,8-dihexylicosan-7-ylphosphane;hydrochloride
CID 173004507
7,8-dihexyltetradecan-7-ylphosphane;hydrobromide
CID 173157930
3,4-diethylicosan-3-ylphosphane;hydrobromide
CID 173024292
3,4-diethyltridecan-3-ylphosphane;hydroiodide
CID 173158517
(9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride
CID 173158164

Frequently Asked Questions

What is the IUPAC name of (5-butyl-6-ethyldodecan-5-yl)phosphane?
The IUPAC name of (5-butyl-6-ethyldodecan-5-yl)phosphane (CID 87508969) is (5-butyl-6-ethyldodecan-5-yl)phosphane.
What is the SMILES notation for (5-butyl-6-ethyldodecan-5-yl)phosphane?
The canonical SMILES for (5-butyl-6-ethyldodecan-5-yl)phosphane is CCCCCCC(CC)C(P)(CCCC)CCCC.
What is the InChIKey of (5-butyl-6-ethyldodecan-5-yl)phosphane?
The InChIKey is HQHFXYNADLPOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39P/c1-5-9-12-13-14-17(8-4)18(19,15-10-6-2)16-11-7-3/h17H,5-16,19H2,1-4H3.
What are the key properties of (5-butyl-6-ethyldodecan-5-yl)phosphane?
(5-butyl-6-ethyldodecan-5-yl)phosphane has a molecular weight of 286.48 g/mol, XLogP of 6.98, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-6-ethyldodecan-5-yl)phosphane is sourced from PubChem (CID 87508969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).