2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane

C20H29O2P — CID 88987772

IUPAC2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane
SMILESCCC(C)(PC1=CCCC=C1C)c1cc(C)ccc1OCOC
InChIInChI=1S/C20H29O2P/c1-6-20(4,23-19-10-8-7-9-16(19)3)17-13-15(2)11-12-18(17)22-14-21-5/h9-13,23H,6-8,14H2,1-5H3
InChIKeyUDLDEKBPGJEHDA-UHFFFAOYSA-N
MW332.42 g/mol
LogP5.91
Rot. Bonds7

About 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane

2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane (PubChem CID 88987772) has the molecular formula C20H29O2P and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane.

Molecular Properties

Compound Name2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane
PubChem CID88987772
Molecular FormulaC20H29O2P
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane
SMILESCCC(C)(PC1=CCCC=C1C)c1cc(C)ccc1OCOC
InChIInChI=1S/C20H29O2P/c1-6-20(4,23-19-10-8-7-9-16(19)3)17-13-15(2)11-12-18(17)22-14-21-5/h9-13,23H,6-8,14H2,1-5H3
InChIKeyUDLDEKBPGJEHDA-UHFFFAOYSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.42
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane?
The IUPAC name of 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane (CID 88987772) is 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane.
What is the SMILES notation for 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane?
The canonical SMILES for 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane is CCC(C)(PC1=CCCC=C1C)c1cc(C)ccc1OCOC.
What is the InChIKey of 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane?
The InChIKey is UDLDEKBPGJEHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29O2P/c1-6-20(4,23-19-10-8-7-9-16(19)3)17-13-15(2)11-12-18(17)22-14-21-5/h9-13,23H,6-8,14H2,1-5H3.
What are the key properties of 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane?
2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane has a molecular weight of 332.42 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane is sourced from PubChem (CID 88987772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).