[4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane

C17H29OP — CID 134293506

IUPAC[4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane
SMILESCC(C)(C)CC(CP)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C17H29OP/c1-16(2,3)11-14(12-19)13-7-9-15(10-8-13)18-17(4,5)6/h7-10,14H,11-12,19H2,1-6H3
InChIKeyZYTBYBLQCXOBLB-UHFFFAOYSA-N
MW280.39 g/mol
LogP5.26
Rot. Bonds4

About [4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane

[4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane (PubChem CID 134293506) has the molecular formula C17H29OP and a molecular weight of 280.39 g/mol. Its IUPAC name is [4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane.

Molecular Properties

Compound Name[4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane
PubChem CID134293506
Molecular FormulaC17H29OP
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name[4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane
SMILESCC(C)(C)CC(CP)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C17H29OP/c1-16(2,3)11-14(12-19)13-7-9-15(10-8-13)18-17(4,5)6/h7-10,14H,11-12,19H2,1-6H3
InChIKeyZYTBYBLQCXOBLB-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.39
LogP ≤ 55.26
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-methoxy-2,5,5-trimethylhexan-3-yl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 71265117
2-[4-(4,4-dimethyl-1-phosphanylpentan-2-yl)phenyl]pentan-2-ol
CID 155135729
1-(5,5-dimethylhexan-3-yl)-4-(1-methoxy-2,2-dimethylpropoxy)benzene
CID 123140500
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 77130956
4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-amine
CID 112512545
(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-amine;hydrochloride
CID 171234453
1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene
CID 134214907
2-methyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 22486849
(1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol
CID 171271183
butane;ethane;methane;1-[(2-methylpropan-2-yl)oxy]-4-(1-phenylethyl)benzene
CID 162233950
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile
CID 12895748

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane?
The IUPAC name of [4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane (CID 134293506) is [4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane.
What is the SMILES notation for [4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane?
The canonical SMILES for [4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane is CC(C)(C)CC(CP)c1ccc(OC(C)(C)C)cc1.
What is the InChIKey of [4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane?
The InChIKey is ZYTBYBLQCXOBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29OP/c1-16(2,3)11-14(12-19)13-7-9-15(10-8-13)18-17(4,5)6/h7-10,14H,11-12,19H2,1-6H3.
What are the key properties of [4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane?
[4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane has a molecular weight of 280.39 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentyl]phosphane is sourced from PubChem (CID 134293506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).