butyl-(2,3-diethylcyclopenta-2,4-dien-1-yl)phosphane

C13H23P — CID 175870504

IUPACbutyl-(2,3-diethylcyclopenta-2,4-dien-1-yl)phosphane
SMILESCCCCPC1C=CC(CC)=C1CC
InChIInChI=1S/C13H23P/c1-4-7-10-14-13-9-8-11(5-2)12(13)6-3/h8-9,13-14H,4-7,10H2,1-3H3
InChIKeyHYNYUPMFVJEEPP-UHFFFAOYSA-N
MW210.30 g/mol
LogP4.52
Rot. Bonds6

About butyl-(2,3-diethylcyclopenta-2,4-dien-1-yl)phosphane

butyl-(2,3-diethylcyclopenta-2,4-dien-1-yl)phosphane (PubChem CID 175870504) has the molecular formula C13H23P and a molecular weight of 210.30 g/mol. Its IUPAC name is butyl-(2,3-diethylcyclopenta-2,4-dien-1-yl)phosphane.

Molecular Properties

Compound Namebutyl-(2,3-diethylcyclopenta-2,4-dien-1-yl)phosphane
PubChem CID175870504
Molecular FormulaC13H23P
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Namebutyl-(2,3-diethylcyclopenta-2,4-dien-1-yl)phosphane
SMILESCCCCPC1C=CC(CC)=C1CC
InChIInChI=1S/C13H23P/c1-4-7-10-14-13-9-8-11(5-2)12(13)6-3/h8-9,13-14H,4-7,10H2,1-3H3
InChIKeyHYNYUPMFVJEEPP-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

5-pentyl-1,2-dipropylcyclopenta-1,3-diene
CID 174262023
5-butyl-2-methylcyclohexa-1,3-diene
CID 12596747
1-bromo-2,5-diethylcyclopenta-1,3-diene
CID 87718886
butyl(cyclohexyl)phosphane
CID 69424025
3,6-dibutylcyclohexa-1,4-diene
CID 90992302
cyclopropyl(nonyl)phosphane
CID 69425063
(6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene
CID 130459982
bromo(butyl)phosphane
CID 142636402
cyclopropyl(hexyl)phosphane;hydrochloride
CID 174737397
butyl-(3,3-dipropylcyclohexyl)phosphane
CID 173289478
1,2,3,4-tetraethyl-5-propylcyclopenta-1,3-diene
CID 154057871
3,4,5,6-tetrabutylcyclohexene
CID 21497713

Frequently Asked Questions

What is the IUPAC name of butyl-(2,3-diethylcyclopenta-2,4-dien-1-yl)phosphane?
The IUPAC name of butyl-(2,3-diethylcyclopenta-2,4-dien-1-yl)phosphane (CID 175870504) is butyl-(2,3-diethylcyclopenta-2,4-dien-1-yl)phosphane.
What is the SMILES notation for butyl-(2,3-diethylcyclopenta-2,4-dien-1-yl)phosphane?
The canonical SMILES for butyl-(2,3-diethylcyclopenta-2,4-dien-1-yl)phosphane is CCCCPC1C=CC(CC)=C1CC.
What is the InChIKey of butyl-(2,3-diethylcyclopenta-2,4-dien-1-yl)phosphane?
The InChIKey is HYNYUPMFVJEEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23P/c1-4-7-10-14-13-9-8-11(5-2)12(13)6-3/h8-9,13-14H,4-7,10H2,1-3H3.
What are the key properties of butyl-(2,3-diethylcyclopenta-2,4-dien-1-yl)phosphane?
butyl-(2,3-diethylcyclopenta-2,4-dien-1-yl)phosphane has a molecular weight of 210.30 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2,3-diethylcyclopenta-2,4-dien-1-yl)phosphane is sourced from PubChem (CID 175870504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).