dimethyl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)phosphane

C12H23P — CID 90947058

IUPACdimethyl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)phosphane
SMILESCC1CC2CCCCC2C1P(C)C
InChIInChI=1S/C12H23P/c1-9-8-10-6-4-5-7-11(10)12(9)13(2)3/h9-12H,4-8H2,1-3H3
InChIKeySAEGTIXGWRRQEC-UHFFFAOYSA-N
MW198.29 g/mol
LogP3.94
Rot. Bonds1

About dimethyl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)phosphane

dimethyl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)phosphane (PubChem CID 90947058) has the molecular formula C12H23P and a molecular weight of 198.29 g/mol. Its IUPAC name is dimethyl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)phosphane.

Molecular Properties

Compound Namedimethyl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)phosphane
PubChem CID90947058
Molecular FormulaC12H23P
Molecular Weight198.29 g/mol
Exact Mass198.15
IUPAC Namedimethyl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)phosphane
SMILESCC1CC2CCCCC2C1P(C)C
InChIInChI=1S/C12H23P/c1-9-8-10-6-4-5-7-11(10)12(9)13(2)3/h9-12H,4-8H2,1-3H3
InChIKeySAEGTIXGWRRQEC-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)phosphane?
The IUPAC name of dimethyl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)phosphane (CID 90947058) is dimethyl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)phosphane.
What is the SMILES notation for dimethyl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)phosphane?
The canonical SMILES for dimethyl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)phosphane is CC1CC2CCCCC2C1P(C)C.
What is the InChIKey of dimethyl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)phosphane?
The InChIKey is SAEGTIXGWRRQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23P/c1-9-8-10-6-4-5-7-11(10)12(9)13(2)3/h9-12H,4-8H2,1-3H3.
What are the key properties of dimethyl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)phosphane?
dimethyl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)phosphane has a molecular weight of 198.29 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)phosphane is sourced from PubChem (CID 90947058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).