bis(2-methylbutan-2-yl)-(2-phenoxyethyl)phosphane

C18H31OP — CID 139972833

IUPACbis(2-methylbutan-2-yl)-(2-phenoxyethyl)phosphane
SMILESCCC(C)(C)P(CCOc1ccccc1)C(C)(C)CC
InChIInChI=1S/C18H31OP/c1-7-17(3,4)20(18(5,6)8-2)15-14-19-16-12-10-9-11-13-16/h9-13H,7-8,14-15H2,1-6H3
InChIKeyAKICPZFPTAKTDL-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.92
Rot. Bonds8

About bis(2-methylbutan-2-yl)-(2-phenoxyethyl)phosphane

bis(2-methylbutan-2-yl)-(2-phenoxyethyl)phosphane (PubChem CID 139972833) has the molecular formula C18H31OP and a molecular weight of 294.42 g/mol. Its IUPAC name is bis(2-methylbutan-2-yl)-(2-phenoxyethyl)phosphane.

Molecular Properties

Compound Namebis(2-methylbutan-2-yl)-(2-phenoxyethyl)phosphane
PubChem CID139972833
Molecular FormulaC18H31OP
Molecular Weight294.42 g/mol
Exact Mass294.21
IUPAC Namebis(2-methylbutan-2-yl)-(2-phenoxyethyl)phosphane
SMILESCCC(C)(C)P(CCOc1ccccc1)C(C)(C)CC
InChIInChI=1S/C18H31OP/c1-7-17(3,4)20(18(5,6)8-2)15-14-19-16-12-10-9-11-13-16/h9-13H,7-8,14-15H2,1-6H3
InChIKeyAKICPZFPTAKTDL-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.92
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

3-methyl-1-phenoxypentan-3-ol
CID 139819683
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
2-methyl-1-(2-phenoxyethoxy)butan-2-amine
CID 64573594
dimethyl(4-phenoxybutyl)phosphane
CID 168765216
2-ethyl-2-methyl-5-phenoxypentan-1-ol
CID 66059804
N-ethyl-2-methyl-2-(2-phenoxyethoxy)propan-1-amine
CID 62353597
ethoxybenzene;propoxybenzene
CID 67747691
pentoxybenzene;undecane
CID 174778179
4,4-dimethylpentoxybenzene;fluoromethane
CID 158387745
ethene;nonoxybenzene;sulfane
CID 174919596
diethyl(2-phenoxyethoxy)silane
CID 150241657

Frequently Asked Questions

What is the IUPAC name of bis(2-methylbutan-2-yl)-(2-phenoxyethyl)phosphane?
The IUPAC name of bis(2-methylbutan-2-yl)-(2-phenoxyethyl)phosphane (CID 139972833) is bis(2-methylbutan-2-yl)-(2-phenoxyethyl)phosphane.
What is the SMILES notation for bis(2-methylbutan-2-yl)-(2-phenoxyethyl)phosphane?
The canonical SMILES for bis(2-methylbutan-2-yl)-(2-phenoxyethyl)phosphane is CCC(C)(C)P(CCOc1ccccc1)C(C)(C)CC.
What is the InChIKey of bis(2-methylbutan-2-yl)-(2-phenoxyethyl)phosphane?
The InChIKey is AKICPZFPTAKTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31OP/c1-7-17(3,4)20(18(5,6)8-2)15-14-19-16-12-10-9-11-13-16/h9-13H,7-8,14-15H2,1-6H3.
What are the key properties of bis(2-methylbutan-2-yl)-(2-phenoxyethyl)phosphane?
bis(2-methylbutan-2-yl)-(2-phenoxyethyl)phosphane has a molecular weight of 294.42 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbutan-2-yl)-(2-phenoxyethyl)phosphane is sourced from PubChem (CID 139972833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).