1-butyl-2-cyclononylphosphonane

C21H41P — CID 66657378

IUPAC1-butyl-2-cyclononylphosphonane
SMILESCCCCP1CCCCCCCC1C1CCCCCCCC1
InChIInChI=1S/C21H41P/c1-2-3-18-22-19-14-10-6-9-13-17-21(22)20-15-11-7-4-5-8-12-16-20/h20-21H,2-19H2,1H3
InChIKeyVQAODGVULGBHDV-UHFFFAOYSA-N
MW324.53 g/mol
LogP7.74
Rot. Bonds4

About 1-butyl-2-cyclononylphosphonane

1-butyl-2-cyclononylphosphonane (PubChem CID 66657378) has the molecular formula C21H41P and a molecular weight of 324.53 g/mol. Its IUPAC name is 1-butyl-2-cyclononylphosphonane.

Molecular Properties

Compound Name1-butyl-2-cyclononylphosphonane
PubChem CID66657378
Molecular FormulaC21H41P
Molecular Weight324.53 g/mol
Exact Mass324.29
IUPAC Name1-butyl-2-cyclononylphosphonane
SMILESCCCCP1CCCCCCCC1C1CCCCCCCC1
InChIInChI=1S/C21H41P/c1-2-3-18-22-19-14-10-6-9-13-17-21(22)20-15-11-7-4-5-8-12-16-20/h20-21H,2-19H2,1H3
InChIKeyVQAODGVULGBHDV-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.53
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-cyclononyl-1-prop-2-enylphosphonane
CID 70257614
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683
CID 19601948
CID 19601948
cyclopentane;ethane;pentane
CID 143543629
cobalt;cyclooctane;pentane
CID 57373062
sodium;hydride;1-octylphosphinane
CID 173416325
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
(2S,4S)-2,4-dicyclohexyl-1-[2-[(2S,4S)-2,4-dicyclohexylphosphetan-1-yl]ethyl]phosphetane
CID 11454879
1-octylphospholane
CID 66657464
CID 134886033
CID 134886033
1-cyclohexyl-4-nonylcyclohexane
CID 56627592
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-cyclononylphosphonane?
The IUPAC name of 1-butyl-2-cyclononylphosphonane (CID 66657378) is 1-butyl-2-cyclononylphosphonane.
What is the SMILES notation for 1-butyl-2-cyclononylphosphonane?
The canonical SMILES for 1-butyl-2-cyclononylphosphonane is CCCCP1CCCCCCCC1C1CCCCCCCC1.
What is the InChIKey of 1-butyl-2-cyclononylphosphonane?
The InChIKey is VQAODGVULGBHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41P/c1-2-3-18-22-19-14-10-6-9-13-17-21(22)20-15-11-7-4-5-8-12-16-20/h20-21H,2-19H2,1H3.
What are the key properties of 1-butyl-2-cyclononylphosphonane?
1-butyl-2-cyclononylphosphonane has a molecular weight of 324.53 g/mol, XLogP of 7.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-cyclononylphosphonane is sourced from PubChem (CID 66657378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).