2,3-dihexadecoxypropan-1-ol;phosphane

C35H75O3P — CID 174353548

IUPAC2,3-dihexadecoxypropan-1-ol;phosphane
SMILESCCCCCCCCCCCCCCCCOCC(CO)OCCCCCCCCCCCCCCCC.P
InChIInChI=1S/C35H72O3.H3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-34-35(33-36)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h35-36H,3-34H2,1-2H3;1H3
InChIKeyZMMCBKKQEQPDDD-UHFFFAOYSA-N
MW574.96 g/mol
LogP11.40
Rot. Bonds34

About 2,3-dihexadecoxypropan-1-ol;phosphane

2,3-dihexadecoxypropan-1-ol;phosphane (PubChem CID 174353548) has the molecular formula C35H75O3P and a molecular weight of 574.96 g/mol. Its IUPAC name is 2,3-dihexadecoxypropan-1-ol;phosphane.

Molecular Properties

Compound Name2,3-dihexadecoxypropan-1-ol;phosphane
PubChem CID174353548
Molecular FormulaC35H75O3P
Molecular Weight574.96 g/mol
Exact Mass574.55
IUPAC Name2,3-dihexadecoxypropan-1-ol;phosphane
SMILESCCCCCCCCCCCCCCCCOCC(CO)OCCCCCCCCCCCCCCCC.P
InChIInChI=1S/C35H72O3.H3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-34-35(33-36)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h35-36H,3-34H2,1-2H3;1H3
InChIKeyZMMCBKKQEQPDDD-UHFFFAOYSA-N
XLogP11.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds34
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.96
LogP ≤ 511.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-hexadecoxy-2-octadecoxypropan-1-ol;phosphane
CID 174930808
3-hexadecoxy-2-tetradecoxypropan-1-ol
CID 57128111
(2S)-2-decoxy-3-[20-[(2S)-2-decoxy-3-hydroxypropoxy]icosoxy]propan-1-ol
CID 100932836
(2R)-3-hexadecoxy-2-octoxypropan-1-ol
CID 87800892
3-(3-hydroxy-2-octadecoxypropoxy)-2-octadecoxypropan-1-ol
CID 25022460
N,N-diethylethanamine;2,3-dihexadecoxypropan-1-ol
CID 172690402
2-(8-(18F)fluorooctoxy)-3-hexadecoxypropan-1-ol
CID 10671023
(2S)-3-methoxy-2-octadecoxypropan-1-ol
CID 22837281
methanesulfonic acid;3-octadecoxy-2-pentoxypropan-1-ol
CID 71325331
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054
2-hexadecoxypropane-1,3-diol
CID 12924931

Frequently Asked Questions

What is the IUPAC name of 2,3-dihexadecoxypropan-1-ol;phosphane?
The IUPAC name of 2,3-dihexadecoxypropan-1-ol;phosphane (CID 174353548) is 2,3-dihexadecoxypropan-1-ol;phosphane.
What is the SMILES notation for 2,3-dihexadecoxypropan-1-ol;phosphane?
The canonical SMILES for 2,3-dihexadecoxypropan-1-ol;phosphane is CCCCCCCCCCCCCCCCOCC(CO)OCCCCCCCCCCCCCCCC.P.
What is the InChIKey of 2,3-dihexadecoxypropan-1-ol;phosphane?
The InChIKey is ZMMCBKKQEQPDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H72O3.H3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-34-35(33-36)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h35-36H,3-34H2,1-2H3;1H3.
What are the key properties of 2,3-dihexadecoxypropan-1-ol;phosphane?
2,3-dihexadecoxypropan-1-ol;phosphane has a molecular weight of 574.96 g/mol, XLogP of 11.40, 34 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihexadecoxypropan-1-ol;phosphane is sourced from PubChem (CID 174353548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).