17-methylhenicosan-4-yloxyphosphane

C22H47OP — CID 58446061

IUPAC17-methylhenicosan-4-yloxyphosphane
SMILESCCCCC(C)CCCCCCCCCCCCC(CCC)OP
InChIInChI=1S/C22H47OP/c1-4-6-18-21(3)19-15-13-11-9-7-8-10-12-14-16-20-22(23-24)17-5-2/h21-22H,4-20,24H2,1-3H3
InChIKeyPFSNTXRHUVIAHF-UHFFFAOYSA-N
MW358.59 g/mol
LogP8.47
Rot. Bonds19

About 17-methylhenicosan-4-yloxyphosphane

17-methylhenicosan-4-yloxyphosphane (PubChem CID 58446061) has the molecular formula C22H47OP and a molecular weight of 358.59 g/mol. Its IUPAC name is 17-methylhenicosan-4-yloxyphosphane.

Molecular Properties

Compound Name17-methylhenicosan-4-yloxyphosphane
PubChem CID58446061
Molecular FormulaC22H47OP
Molecular Weight358.59 g/mol
Exact Mass358.34
IUPAC Name17-methylhenicosan-4-yloxyphosphane
SMILESCCCCC(C)CCCCCCCCCCCCC(CCC)OP
InChIInChI=1S/C22H47OP/c1-4-6-18-21(3)19-15-13-11-9-7-8-10-12-14-16-20-22(23-24)17-5-2/h21-22H,4-20,24H2,1-3H3
InChIKeyPFSNTXRHUVIAHF-UHFFFAOYSA-N
XLogP8.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.59
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4,13-dimethylheptadecane
CID 6430494
5,17-dimethylnonacosane
CID 56936184
5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472
5,13,19-trimethylheptatriacontane
CID 172565409
5,23-dimethyltritriacontane
CID 71339926
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384
5,15-dimethylpentatriacontane
CID 6430641
5,9,17-trimethylhenicosane
CID 123913465
(4R)-4-methyldecane
CID 57191620
(4S)-4-methyltridecane
CID 24884428

Frequently Asked Questions

What is the IUPAC name of 17-methylhenicosan-4-yloxyphosphane?
The IUPAC name of 17-methylhenicosan-4-yloxyphosphane (CID 58446061) is 17-methylhenicosan-4-yloxyphosphane.
What is the SMILES notation for 17-methylhenicosan-4-yloxyphosphane?
The canonical SMILES for 17-methylhenicosan-4-yloxyphosphane is CCCCC(C)CCCCCCCCCCCCC(CCC)OP.
What is the InChIKey of 17-methylhenicosan-4-yloxyphosphane?
The InChIKey is PFSNTXRHUVIAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47OP/c1-4-6-18-21(3)19-15-13-11-9-7-8-10-12-14-16-20-22(23-24)17-5-2/h21-22H,4-20,24H2,1-3H3.
What are the key properties of 17-methylhenicosan-4-yloxyphosphane?
17-methylhenicosan-4-yloxyphosphane has a molecular weight of 358.59 g/mol, XLogP of 8.47, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methylhenicosan-4-yloxyphosphane is sourced from PubChem (CID 58446061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).