[5-(ethoxymethyl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane

C20H21OP — CID 176546157

IUPAC[5-(ethoxymethyl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane
SMILESCCOCC1C=CC=C1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21OP/c1-2-21-16-17-10-9-15-20(17)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-15,17H,2,16H2,1H3
InChIKeyOSNRDBYKTMNIIT-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.23
Rot. Bonds6

About [5-(ethoxymethyl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane

[5-(ethoxymethyl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane (PubChem CID 176546157) has the molecular formula C20H21OP and a molecular weight of 308.36 g/mol. Its IUPAC name is [5-(ethoxymethyl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane.

Molecular Properties

Compound Name[5-(ethoxymethyl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane
PubChem CID176546157
Molecular FormulaC20H21OP
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name[5-(ethoxymethyl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane
SMILESCCOCC1C=CC=C1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21OP/c1-2-21-16-17-10-9-15-20(17)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-15,17H,2,16H2,1H3
InChIKeyOSNRDBYKTMNIIT-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl-diphenylphosphane
CID 16691563
benzyl-[(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl]-dimethylazanium
CID 101238580
[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
CID 70940383
(5-fluorocyclopenta-1,3-dien-1-yl)-diphenylphosphane
CID 176541891
(5-tert-butylsulfanylcyclopenta-1,3-dien-1-yl)-diphenylphosphane
CID 102357317
(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine
CID 87708719
(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine
CID 87789367
butane;triphenylphosphane
CID 161447439
[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenta-2,4-dien-1-yl]methyl-ditert-butylphosphane
CID 87228412
dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 15302428
ethenoxyethane;triphenylphosphane
CID 175017576
ethyl(diphenyl)phosphane;triethoxysilane
CID 161086749

Frequently Asked Questions

What is the IUPAC name of [5-(ethoxymethyl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
The IUPAC name of [5-(ethoxymethyl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane (CID 176546157) is [5-(ethoxymethyl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane.
What is the SMILES notation for [5-(ethoxymethyl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
The canonical SMILES for [5-(ethoxymethyl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane is CCOCC1C=CC=C1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [5-(ethoxymethyl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
The InChIKey is OSNRDBYKTMNIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21OP/c1-2-21-16-17-10-9-15-20(17)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-15,17H,2,16H2,1H3.
What are the key properties of [5-(ethoxymethyl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
[5-(ethoxymethyl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane has a molecular weight of 308.36 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethoxymethyl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane is sourced from PubChem (CID 176546157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).