9-ethenyl-9-phosphorosoheptadecane

C19H37OP — CID 88748001

IUPAC9-ethenyl-9-phosphorosoheptadecane
SMILESC=CC(CCCCCCCC)(CCCCCCCC)P=O
InChIInChI=1S/C19H37OP/c1-4-7-9-11-13-15-17-19(6-3,21-20)18-16-14-12-10-8-5-2/h6H,3-5,7-18H2,1-2H3
InChIKeyBTCDWJNUTNHLTN-UHFFFAOYSA-N
MW312.48 g/mol
LogP7.70
Rot. Bonds16

About 9-ethenyl-9-phosphorosoheptadecane

9-ethenyl-9-phosphorosoheptadecane (PubChem CID 88748001) has the molecular formula C19H37OP and a molecular weight of 312.48 g/mol. Its IUPAC name is 9-ethenyl-9-phosphorosoheptadecane.

Molecular Properties

Compound Name9-ethenyl-9-phosphorosoheptadecane
PubChem CID88748001
Molecular FormulaC19H37OP
Molecular Weight312.48 g/mol
Exact Mass312.26
IUPAC Name9-ethenyl-9-phosphorosoheptadecane
SMILESC=CC(CCCCCCCC)(CCCCCCCC)P=O
InChIInChI=1S/C19H37OP/c1-4-7-9-11-13-15-17-19(6-3,21-20)18-16-14-12-10-8-5-2/h6H,3-5,7-18H2,1-2H3
InChIKeyBTCDWJNUTNHLTN-UHFFFAOYSA-N
XLogP7.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.48
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

7-hexyl-7-phosphorosotetradecane
CID 54101700
3-ethyl-3-phosphorosotetradecane
CID 87266835
ethene;undecane
CID 161157037
3-ethenyl-3-ethylhexadecan-2-one
CID 87804881
5-(2,3-dimethylbutyl)-2,3-dimethyl-5-phosphorosoundecane
CID 19826656
3-(bromomethyl)-3-methyldodec-1-ene
CID 102642280
3-trimethylsilyldodec-1-en-3-ol
CID 12519745
9-phosphanylheptacosan-9-ylphosphane
CID 174586813
9-octyl-9-(9-octyloctadecan-9-yldisulfanyl)octadecane
CID 154104179
3-ethyl-N,N-dimethylpentadec-1-en-3-amine
CID 174842889
tetracosane-6,6-diamine
CID 154005419
5-ethenyl-5-ethoxytetradecane
CID 172806244

Frequently Asked Questions

What is the IUPAC name of 9-ethenyl-9-phosphorosoheptadecane?
The IUPAC name of 9-ethenyl-9-phosphorosoheptadecane (CID 88748001) is 9-ethenyl-9-phosphorosoheptadecane.
What is the SMILES notation for 9-ethenyl-9-phosphorosoheptadecane?
The canonical SMILES for 9-ethenyl-9-phosphorosoheptadecane is C=CC(CCCCCCCC)(CCCCCCCC)P=O.
What is the InChIKey of 9-ethenyl-9-phosphorosoheptadecane?
The InChIKey is BTCDWJNUTNHLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37OP/c1-4-7-9-11-13-15-17-19(6-3,21-20)18-16-14-12-10-8-5-2/h6H,3-5,7-18H2,1-2H3.
What are the key properties of 9-ethenyl-9-phosphorosoheptadecane?
9-ethenyl-9-phosphorosoheptadecane has a molecular weight of 312.48 g/mol, XLogP of 7.70, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenyl-9-phosphorosoheptadecane is sourced from PubChem (CID 88748001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).