tricyclohexyl-[1-(2-ethylcyclopenten-1-yl)ethyl]phosphanium

C27H48P+ — CID 101198030

IUPACtricyclohexyl-[1-(2-ethylcyclopenten-1-yl)ethyl]phosphanium
SMILESCCC1=C(C(C)[P+](C2CCCCC2)(C2CCCCC2)C2CCCCC2)CCC1
InChIInChI=1S/C27H48P/c1-3-23-14-13-21-27(23)22(2)28(24-15-7-4-8-16-24,25-17-9-5-10-18-25)26-19-11-6-12-20-26/h22,24-26H,3-21H2,1-2H3/q+1
InChIKeyCOIGKIXUKPAGOE-UHFFFAOYSA-N
MW403.66 g/mol
LogP9.28
Rot. Bonds6

About tricyclohexyl-[1-(2-ethylcyclopenten-1-yl)ethyl]phosphanium

tricyclohexyl-[1-(2-ethylcyclopenten-1-yl)ethyl]phosphanium (PubChem CID 101198030) has the molecular formula C27H48P+ and a molecular weight of 403.66 g/mol. Its IUPAC name is tricyclohexyl-[1-(2-ethylcyclopenten-1-yl)ethyl]phosphanium.

Molecular Properties

Compound Nametricyclohexyl-[1-(2-ethylcyclopenten-1-yl)ethyl]phosphanium
PubChem CID101198030
Molecular FormulaC27H48P+
Molecular Weight403.66 g/mol
Exact Mass403.35
IUPAC Nametricyclohexyl-[1-(2-ethylcyclopenten-1-yl)ethyl]phosphanium
SMILESCCC1=C(C(C)[P+](C2CCCCC2)(C2CCCCC2)C2CCCCC2)CCC1
InChIInChI=1S/C27H48P/c1-3-23-14-13-21-27(23)22(2)28(24-15-7-4-8-16-24,25-17-9-5-10-18-25)26-19-11-6-12-20-26/h22,24-26H,3-21H2,1-2H3/q+1
InChIKeyCOIGKIXUKPAGOE-UHFFFAOYSA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.66
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-(1-methylsulfanylethyl)cyclohexene
CID 170090653
(2-propan-2-ylcyclopenten-1-yl)methanol
CID 153463794
1-butyl-2-ethylcyclopentene
CID 154086983
tricyclohexyl(methyl)phosphanium chloride
CID 19001088
(2-propan-2-ylcyclopenten-1-yl)methanethiol
CID 130248159
cyclohexyl-methyl-diphenylphosphanium
CID 23418239
2-[2-(3-oxopentan-2-yl)cyclopenten-1-yl]acetic acid
CID 57240850
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
cyclohexyl(trimethyl)phosphanium;tetramethylphosphanium;bromide;hydroxide
CID 157358455
butane;cyclopentylmethylbenzene
CID 143522605
2,6-diethylcyclohexen-1-ol
CID 101312088

Frequently Asked Questions

What is the IUPAC name of tricyclohexyl-[1-(2-ethylcyclopenten-1-yl)ethyl]phosphanium?
The IUPAC name of tricyclohexyl-[1-(2-ethylcyclopenten-1-yl)ethyl]phosphanium (CID 101198030) is tricyclohexyl-[1-(2-ethylcyclopenten-1-yl)ethyl]phosphanium.
What is the SMILES notation for tricyclohexyl-[1-(2-ethylcyclopenten-1-yl)ethyl]phosphanium?
The canonical SMILES for tricyclohexyl-[1-(2-ethylcyclopenten-1-yl)ethyl]phosphanium is CCC1=C(C(C)[P+](C2CCCCC2)(C2CCCCC2)C2CCCCC2)CCC1.
What is the InChIKey of tricyclohexyl-[1-(2-ethylcyclopenten-1-yl)ethyl]phosphanium?
The InChIKey is COIGKIXUKPAGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48P/c1-3-23-14-13-21-27(23)22(2)28(24-15-7-4-8-16-24,25-17-9-5-10-18-25)26-19-11-6-12-20-26/h22,24-26H,3-21H2,1-2H3/q+1.
What are the key properties of tricyclohexyl-[1-(2-ethylcyclopenten-1-yl)ethyl]phosphanium?
tricyclohexyl-[1-(2-ethylcyclopenten-1-yl)ethyl]phosphanium has a molecular weight of 403.66 g/mol, XLogP of 9.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclohexyl-[1-(2-ethylcyclopenten-1-yl)ethyl]phosphanium is sourced from PubChem (CID 101198030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).