2-[2-(9-octylheptadecan-9-yloxy)ethoxy]ethylphosphane;hydrochloride

C29H62ClO2P — CID 173113328

IUPAC2-[2-(9-octylheptadecan-9-yloxy)ethoxy]ethylphosphane;hydrochloride
SMILESCCCCCCCCC(CCCCCCCC)(CCCCCCCC)OCCOCCP.Cl
InChIInChI=1S/C29H61O2P.ClH/c1-4-7-10-13-16-19-22-29(31-26-25-30-27-28-32,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;/h4-28,32H2,1-3H3;1H
InChIKeyFSVKIPAZELJVLA-UHFFFAOYSA-N
MW509.24 g/mol
LogP10.31
Rot. Bonds27

About 2-[2-(9-octylheptadecan-9-yloxy)ethoxy]ethylphosphane;hydrochloride

2-[2-(9-octylheptadecan-9-yloxy)ethoxy]ethylphosphane;hydrochloride (PubChem CID 173113328) has the molecular formula C29H62ClO2P and a molecular weight of 509.24 g/mol. Its IUPAC name is 2-[2-(9-octylheptadecan-9-yloxy)ethoxy]ethylphosphane;hydrochloride.

Molecular Properties

Compound Name2-[2-(9-octylheptadecan-9-yloxy)ethoxy]ethylphosphane;hydrochloride
PubChem CID173113328
Molecular FormulaC29H62ClO2P
Molecular Weight509.24 g/mol
Exact Mass508.42
IUPAC Name2-[2-(9-octylheptadecan-9-yloxy)ethoxy]ethylphosphane;hydrochloride
SMILESCCCCCCCCC(CCCCCCCC)(CCCCCCCC)OCCOCCP.Cl
InChIInChI=1S/C29H61O2P.ClH/c1-4-7-10-13-16-19-22-29(31-26-25-30-27-28-32,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;/h4-28,32H2,1-3H3;1H
InChIKeyFSVKIPAZELJVLA-UHFFFAOYSA-N
XLogP10.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.24
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-[2-(4-propylheptan-4-yloxy)ethoxy]ethylphosphane
CID 87508525
10-decoxy-10-nonylnonadecane
CID 150430521
3-butoxy-3-ethyloctane
CID 156635634
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane
CID 164583744
2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol
CID 142712379
1-(2-nonoxyethoxy)nonane
CID 87982931
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-(2-decoxyethoxy)decane
CID 14009354
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9-octylheptadecan-9-yloxy)ethoxy]ethylphosphane;hydrochloride?
The IUPAC name of 2-[2-(9-octylheptadecan-9-yloxy)ethoxy]ethylphosphane;hydrochloride (CID 173113328) is 2-[2-(9-octylheptadecan-9-yloxy)ethoxy]ethylphosphane;hydrochloride.
What is the SMILES notation for 2-[2-(9-octylheptadecan-9-yloxy)ethoxy]ethylphosphane;hydrochloride?
The canonical SMILES for 2-[2-(9-octylheptadecan-9-yloxy)ethoxy]ethylphosphane;hydrochloride is CCCCCCCCC(CCCCCCCC)(CCCCCCCC)OCCOCCP.Cl.
What is the InChIKey of 2-[2-(9-octylheptadecan-9-yloxy)ethoxy]ethylphosphane;hydrochloride?
The InChIKey is FSVKIPAZELJVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H61O2P.ClH/c1-4-7-10-13-16-19-22-29(31-26-25-30-27-28-32,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;/h4-28,32H2,1-3H3;1H.
What are the key properties of 2-[2-(9-octylheptadecan-9-yloxy)ethoxy]ethylphosphane;hydrochloride?
2-[2-(9-octylheptadecan-9-yloxy)ethoxy]ethylphosphane;hydrochloride has a molecular weight of 509.24 g/mol, XLogP of 10.31, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9-octylheptadecan-9-yloxy)ethoxy]ethylphosphane;hydrochloride is sourced from PubChem (CID 173113328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).