[2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane

C20H21OP — CID 70880363

IUPAC[2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
SMILESCO[C@@H](C)C1=C(P(c2ccccc2)c2ccccc2)CC=C1
InChIInChI=1S/C20H21OP/c1-16(21-2)19-14-9-15-20(19)22(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-14,16H,15H2,1-2H3/t16-/m0/s1
InChIKeyZQEAMLGLWXSTKX-INIZCTEOSA-N
MW308.36 g/mol
LogP4.37
Rot. Bonds5

About [2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane

[2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane (PubChem CID 70880363) has the molecular formula C20H21OP and a molecular weight of 308.36 g/mol. Its IUPAC name is [2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
PubChem CID70880363
Molecular FormulaC20H21OP
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name[2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
SMILESCO[C@@H](C)C1=C(P(c2ccccc2)c2ccccc2)CC=C1
InChIInChI=1S/C20H21OP/c1-16(21-2)19-14-9-15-20(19)22(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-14,16H,15H2,1-2H3/t16-/m0/s1
InChIKeyZQEAMLGLWXSTKX-INIZCTEOSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.37
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

[1-(2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-2-propan-2-ylsulfanylpropyl]-[2-(methoxymethyl)pyrrolidin-1-yl]azanium
CID 102370871
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S)-1-(2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)ethyl]urea
CID 118687785
[(1S)-1-[2-[(1S)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]ethyl]-diphenylphosphane
CID 101070950
3-[3,5-bis(trifluoromethyl)phenyl]-1-[(1S)-1-(2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)ethyl]-1-methylthiourea
CID 118687811
diphenyl-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopenta-1,3-dien-1-yl]phosphane
CID 78076218
[4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane
CID 132574561
ditert-butyl-[1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
CID 85432950
methoxy-methyl-diphenylphosphanium
CID 23415298
(R)-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-phenylmethanamine
CID 101255313
[(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid
CID 118687805
ethane;triphenylphosphane
CID 90942156
palladium;ruthenium;triphenylphosphane
CID 174683160

Frequently Asked Questions

What is the IUPAC name of [2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
The IUPAC name of [2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane (CID 70880363) is [2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane.
What is the SMILES notation for [2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
The canonical SMILES for [2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane is CO[C@@H](C)C1=C(P(c2ccccc2)c2ccccc2)CC=C1.
What is the InChIKey of [2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
The InChIKey is ZQEAMLGLWXSTKX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21OP/c1-16(21-2)19-14-9-15-20(19)22(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-14,16H,15H2,1-2H3/t16-/m0/s1.
What are the key properties of [2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
[2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane has a molecular weight of 308.36 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane is sourced from PubChem (CID 70880363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).