(4,7-dimethyl-1H-inden-2-yl)-dipropylphosphane

C17H25P — CID 21096605

IUPAC(4,7-dimethyl-1H-inden-2-yl)-dipropylphosphane
SMILESCCCP(CCC)C1=Cc2c(C)ccc(C)c2C1
InChIInChI=1S/C17H25P/c1-5-9-18(10-6-2)15-11-16-13(3)7-8-14(4)17(16)12-15/h7-8,11H,5-6,9-10,12H2,1-4H3
InChIKeyAHJSMICUDPIJOA-UHFFFAOYSA-N
MW260.36 g/mol
LogP5.50
Rot. Bonds5

About (4,7-dimethyl-1H-inden-2-yl)-dipropylphosphane

(4,7-dimethyl-1H-inden-2-yl)-dipropylphosphane (PubChem CID 21096605) has the molecular formula C17H25P and a molecular weight of 260.36 g/mol. Its IUPAC name is (4,7-dimethyl-1H-inden-2-yl)-dipropylphosphane.

Molecular Properties

Compound Name(4,7-dimethyl-1H-inden-2-yl)-dipropylphosphane
PubChem CID21096605
Molecular FormulaC17H25P
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name(4,7-dimethyl-1H-inden-2-yl)-dipropylphosphane
SMILESCCCP(CCC)C1=Cc2c(C)ccc(C)c2C1
InChIInChI=1S/C17H25P/c1-5-9-18(10-6-2)15-11-16-13(3)7-8-14(4)17(16)12-15/h7-8,11H,5-6,9-10,12H2,1-4H3
InChIKeyAHJSMICUDPIJOA-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.36
LogP ≤ 55.50
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

dicyclohexyl-(4,7-dimethyl-1H-inden-2-yl)phosphane
CID 21096503
dichlorozirconium;2-ethyl-4,7-dimethyl-1H-indene
CID 174363313
2-iodo-4,7-dimethyl-1H-indene
CID 145268239
2-bromo-4,7-dimethyl-1H-indene
CID 58975409
2-ethenyl-4,7-dimethyl-1H-indene
CID 145268234
4-(3,4-dimethylphenyl)-2-ethyl-7-methyl-1H-indene
CID 87984166
2-ethyl-7-methyl-4-(4-methylphenyl)-1H-indene
CID 87521684
4,7-dimethyl-2-(2-phenylphenyl)-1H-indene
CID 175069448
dibutyl(1H-inden-2-yl)phosphane
CID 21096004
hexyl-propyl-(2,3,4-trimethylphenyl)phosphane
CID 90109576
2-(5,8-dimethyl-3,4-dihydronaphthalen-2-yl)propan-2-ol
CID 102316586
2-benzyl-7-methyl-4-phenyl-1H-indene
CID 87188010

Frequently Asked Questions

What is the IUPAC name of (4,7-dimethyl-1H-inden-2-yl)-dipropylphosphane?
The IUPAC name of (4,7-dimethyl-1H-inden-2-yl)-dipropylphosphane (CID 21096605) is (4,7-dimethyl-1H-inden-2-yl)-dipropylphosphane.
What is the SMILES notation for (4,7-dimethyl-1H-inden-2-yl)-dipropylphosphane?
The canonical SMILES for (4,7-dimethyl-1H-inden-2-yl)-dipropylphosphane is CCCP(CCC)C1=Cc2c(C)ccc(C)c2C1.
What is the InChIKey of (4,7-dimethyl-1H-inden-2-yl)-dipropylphosphane?
The InChIKey is AHJSMICUDPIJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25P/c1-5-9-18(10-6-2)15-11-16-13(3)7-8-14(4)17(16)12-15/h7-8,11H,5-6,9-10,12H2,1-4H3.
What are the key properties of (4,7-dimethyl-1H-inden-2-yl)-dipropylphosphane?
(4,7-dimethyl-1H-inden-2-yl)-dipropylphosphane has a molecular weight of 260.36 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7-dimethyl-1H-inden-2-yl)-dipropylphosphane is sourced from PubChem (CID 21096605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).