9,10-dioctyloctadecan-9-ylphosphane

C34H71P — CID 18997725

IUPAC9,10-dioctyloctadecan-9-ylphosphane
SMILESCCCCCCCCC(CCCCCCCC)C(P)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C34H71P/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2)34(35,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h33H,5-32,35H2,1-4H3
InChIKeyGPFWDVVDSDXWER-UHFFFAOYSA-N
MW510.92 g/mol
LogP13.22
Rot. Bonds29

About 9,10-dioctyloctadecan-9-ylphosphane

9,10-dioctyloctadecan-9-ylphosphane (PubChem CID 18997725) has the molecular formula C34H71P and a molecular weight of 510.92 g/mol. Its IUPAC name is 9,10-dioctyloctadecan-9-ylphosphane.

Molecular Properties

Compound Name9,10-dioctyloctadecan-9-ylphosphane
PubChem CID18997725
Molecular FormulaC34H71P
Molecular Weight510.92 g/mol
Exact Mass510.53
IUPAC Name9,10-dioctyloctadecan-9-ylphosphane
SMILESCCCCCCCCC(CCCCCCCC)C(P)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C34H71P/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2)34(35,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h33H,5-32,35H2,1-4H3
InChIKeyGPFWDVVDSDXWER-UHFFFAOYSA-N
XLogP13.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.92
LogP ≤ 513.22
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

7,8-dihexylicosan-7-ylphosphane
CID 18442252
8,9-diheptylhenicosan-8-ylphosphane
CID 87777798
7,8-dihexylheptadecan-7-ylphosphane;hydrobromide
CID 173157969
7,8-dihexyltetradecan-7-ylphosphane;hydrobromide
CID 173157930
7,8-dihexylicosan-7-ylphosphane;hydrochloride
CID 173004507
8,9-diheptylhexadecan-8-ylphosphane;hydroiodide
CID 173157506
(9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride
CID 173158164
(5-butyl-6-propyltetradecan-5-yl)phosphane
CID 22596996
(5-butyl-6-propylnonadecan-5-yl)phosphane
CID 22597089
(5-butyl-6-ethyldodecan-5-yl)phosphane
CID 87508969
5,6-dibutyldecan-5-ylphosphane;hydroiodide
CID 173157800
(5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide
CID 173157813

Frequently Asked Questions

What is the IUPAC name of 9,10-dioctyloctadecan-9-ylphosphane?
The IUPAC name of 9,10-dioctyloctadecan-9-ylphosphane (CID 18997725) is 9,10-dioctyloctadecan-9-ylphosphane.
What is the SMILES notation for 9,10-dioctyloctadecan-9-ylphosphane?
The canonical SMILES for 9,10-dioctyloctadecan-9-ylphosphane is CCCCCCCCC(CCCCCCCC)C(P)(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 9,10-dioctyloctadecan-9-ylphosphane?
The InChIKey is GPFWDVVDSDXWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H71P/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2)34(35,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h33H,5-32,35H2,1-4H3.
What are the key properties of 9,10-dioctyloctadecan-9-ylphosphane?
9,10-dioctyloctadecan-9-ylphosphane has a molecular weight of 510.92 g/mol, XLogP of 13.22, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dioctyloctadecan-9-ylphosphane is sourced from PubChem (CID 18997725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).