cyclopenta-1,3-dien-1-yloxy-bis(4-methylpentyl)-(4-methylpentylimino)-λ5-phosphane

C23H44NOP — CID 90749341

IUPACcyclopenta-1,3-dien-1-yloxy-bis(4-methylpentyl)-(4-methylpentylimino)-λ5-phosphane
SMILESCC(C)CCCN=P(CCCC(C)C)(CCCC(C)C)OC1=CC=CC1
InChIInChI=1S/C23H44NOP/c1-20(2)12-9-17-24-26(18-10-13-21(3)4,19-11-14-22(5)6)25-23-15-7-8-16-23/h7-8,15,20-22H,9-14,16-19H2,1-6H3
InChIKeyJIIFPUWGVRIFJM-UHFFFAOYSA-N
MW381.59 g/mol
LogP8.27
Rot. Bonds14

About cyclopenta-1,3-dien-1-yloxy-bis(4-methylpentyl)-(4-methylpentylimino)-λ5-phosphane

cyclopenta-1,3-dien-1-yloxy-bis(4-methylpentyl)-(4-methylpentylimino)-λ5-phosphane (PubChem CID 90749341) has the molecular formula C23H44NOP and a molecular weight of 381.59 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yloxy-bis(4-methylpentyl)-(4-methylpentylimino)-λ5-phosphane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yloxy-bis(4-methylpentyl)-(4-methylpentylimino)-λ5-phosphane
PubChem CID90749341
Molecular FormulaC23H44NOP
Molecular Weight381.59 g/mol
Exact Mass381.32
IUPAC Namecyclopenta-1,3-dien-1-yloxy-bis(4-methylpentyl)-(4-methylpentylimino)-λ5-phosphane
SMILESCC(C)CCCN=P(CCCC(C)C)(CCCC(C)C)OC1=CC=CC1
InChIInChI=1S/C23H44NOP/c1-20(2)12-9-17-24-26(18-10-13-21(3)4,19-11-14-22(5)6)25-23-15-7-8-16-23/h7-8,15,20-22H,9-14,16-19H2,1-6H3
InChIKeyJIIFPUWGVRIFJM-UHFFFAOYSA-N
XLogP8.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.59
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

dibutyl-butylimino-cyclopenta-1,3-dien-1-yloxy-λ5-phosphane
CID 90998909
bis(cyclopenta-1,3-dien-1-yl 9-methyldecanoate);bis(9-methyldecanoic acid)
CID 175233693
1-(2-cyclopenta-1,3-dien-1-yloxyethoxy)cyclopenta-1,3-diene
CID 13032212
1-nonoxycyclopenta-1,3-diene
CID 175032458
1-(4-methylpentyl)cyclohexa-1,3-diene
CID 19795456
cyclopenta-1,3-dien-1-yloxy-dicyclopentyl-cyclopentylimino-λ5-phosphane
CID 90966939
1-[1-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene
CID 66772825
4-methylpentyliminotungsten
CID 177070501
dicyclopenta-1,3-dien-1-yl (E)-but-2-enedioate
CID 18347223
1-(9-methyldecyl)-5-methylidenecyclopenta-1,3-diene
CID 123240339
cyclopenta-1,3-dien-1-yl-di(propan-2-yl)-selanylidene-λ5-phosphane
CID 101110010
barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene)
CID 173388440

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yloxy-bis(4-methylpentyl)-(4-methylpentylimino)-λ5-phosphane?
The IUPAC name of cyclopenta-1,3-dien-1-yloxy-bis(4-methylpentyl)-(4-methylpentylimino)-λ5-phosphane (CID 90749341) is cyclopenta-1,3-dien-1-yloxy-bis(4-methylpentyl)-(4-methylpentylimino)-λ5-phosphane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yloxy-bis(4-methylpentyl)-(4-methylpentylimino)-λ5-phosphane?
The canonical SMILES for cyclopenta-1,3-dien-1-yloxy-bis(4-methylpentyl)-(4-methylpentylimino)-λ5-phosphane is CC(C)CCCN=P(CCCC(C)C)(CCCC(C)C)OC1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-yloxy-bis(4-methylpentyl)-(4-methylpentylimino)-λ5-phosphane?
The InChIKey is JIIFPUWGVRIFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44NOP/c1-20(2)12-9-17-24-26(18-10-13-21(3)4,19-11-14-22(5)6)25-23-15-7-8-16-23/h7-8,15,20-22H,9-14,16-19H2,1-6H3.
What are the key properties of cyclopenta-1,3-dien-1-yloxy-bis(4-methylpentyl)-(4-methylpentylimino)-λ5-phosphane?
cyclopenta-1,3-dien-1-yloxy-bis(4-methylpentyl)-(4-methylpentylimino)-λ5-phosphane has a molecular weight of 381.59 g/mol, XLogP of 8.27, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yloxy-bis(4-methylpentyl)-(4-methylpentylimino)-λ5-phosphane is sourced from PubChem (CID 90749341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).