methyl-(3,5,5-trimethyl-1-phenylhexan-2-yl)phosphane

C16H27P — CID 138738585

IUPACmethyl-(3,5,5-trimethyl-1-phenylhexan-2-yl)phosphane
SMILESCPC(Cc1ccccc1)C(C)CC(C)(C)C
InChIInChI=1S/C16H27P/c1-13(12-16(2,3)4)15(17-5)11-14-9-7-6-8-10-14/h6-10,13,15,17H,11-12H2,1-5H3
InChIKeyCKFQQMXYFFOJQN-UHFFFAOYSA-N
MW250.37 g/mol
LogP4.98
Rot. Bonds5

About methyl-(3,5,5-trimethyl-1-phenylhexan-2-yl)phosphane

methyl-(3,5,5-trimethyl-1-phenylhexan-2-yl)phosphane (PubChem CID 138738585) has the molecular formula C16H27P and a molecular weight of 250.37 g/mol. Its IUPAC name is methyl-(3,5,5-trimethyl-1-phenylhexan-2-yl)phosphane.

Molecular Properties

Compound Namemethyl-(3,5,5-trimethyl-1-phenylhexan-2-yl)phosphane
PubChem CID138738585
Molecular FormulaC16H27P
Molecular Weight250.37 g/mol
Exact Mass250.19
IUPAC Namemethyl-(3,5,5-trimethyl-1-phenylhexan-2-yl)phosphane
SMILESCPC(Cc1ccccc1)C(C)CC(C)(C)C
InChIInChI=1S/C16H27P/c1-13(12-16(2,3)4)15(17-5)11-14-9-7-6-8-10-14/h6-10,13,15,17H,11-12H2,1-5H3
InChIKeyCKFQQMXYFFOJQN-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium
CID 140963970
2,3-dimethylbutylbenzene
CID 12054035
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
2-(1-phenylpropan-2-yldiselanyl)propylbenzene
CID 10430842
2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane
CID 159235518
(3-bromo-2,4-dimethylpentyl)benzene
CID 79298231
ethane;2-methylpropylbenzene
CID 162200929
2,2,4-trimethyl-1,5-diphenylpentan-3-ol
CID 139443987
dibenzyl-tert-butyl-(2,2-dimethylpropyl)phosphanium
CID 173031877
[(2R)-4,4,4-trifluoro-2-methylbutyl]benzene
CID 173350029
(2S)-2-benzyl-3,3-dimethylbutan-1-ol
CID 11805570
3-methyl-1-phenylhexane-2,3,5-triol
CID 141215630

Frequently Asked Questions

What is the IUPAC name of methyl-(3,5,5-trimethyl-1-phenylhexan-2-yl)phosphane?
The IUPAC name of methyl-(3,5,5-trimethyl-1-phenylhexan-2-yl)phosphane (CID 138738585) is methyl-(3,5,5-trimethyl-1-phenylhexan-2-yl)phosphane.
What is the SMILES notation for methyl-(3,5,5-trimethyl-1-phenylhexan-2-yl)phosphane?
The canonical SMILES for methyl-(3,5,5-trimethyl-1-phenylhexan-2-yl)phosphane is CPC(Cc1ccccc1)C(C)CC(C)(C)C.
What is the InChIKey of methyl-(3,5,5-trimethyl-1-phenylhexan-2-yl)phosphane?
The InChIKey is CKFQQMXYFFOJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27P/c1-13(12-16(2,3)4)15(17-5)11-14-9-7-6-8-10-14/h6-10,13,15,17H,11-12H2,1-5H3.
What are the key properties of methyl-(3,5,5-trimethyl-1-phenylhexan-2-yl)phosphane?
methyl-(3,5,5-trimethyl-1-phenylhexan-2-yl)phosphane has a molecular weight of 250.37 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3,5,5-trimethyl-1-phenylhexan-2-yl)phosphane is sourced from PubChem (CID 138738585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).