tetramethyl-(2-methylcyclopenta-1,3-dien-1-yl)-λ5-phosphane

C10H19P — CID 68906786

IUPACtetramethyl-(2-methylcyclopenta-1,3-dien-1-yl)-λ5-phosphane
SMILESCC1=C(P(C)(C)(C)C)CC=C1
InChIInChI=1S/C10H19P/c1-9-7-6-8-10(9)11(2,3,4)5/h6-7H,8H2,1-5H3
InChIKeyHOQWJIXSBLKBEK-UHFFFAOYSA-N
MW170.24 g/mol
LogP3.29
Rot. Bonds1

About tetramethyl-(2-methylcyclopenta-1,3-dien-1-yl)-λ5-phosphane

tetramethyl-(2-methylcyclopenta-1,3-dien-1-yl)-λ5-phosphane (PubChem CID 68906786) has the molecular formula C10H19P and a molecular weight of 170.24 g/mol. Its IUPAC name is tetramethyl-(2-methylcyclopenta-1,3-dien-1-yl)-λ5-phosphane.

Molecular Properties

Compound Nametetramethyl-(2-methylcyclopenta-1,3-dien-1-yl)-λ5-phosphane
PubChem CID68906786
Molecular FormulaC10H19P
Molecular Weight170.24 g/mol
Exact Mass170.12
IUPAC Nametetramethyl-(2-methylcyclopenta-1,3-dien-1-yl)-λ5-phosphane
SMILESCC1=C(P(C)(C)(C)C)CC=C1
InChIInChI=1S/C10H19P/c1-9-7-6-8-10(9)11(2,3,4)5/h6-7H,8H2,1-5H3
InChIKeyHOQWJIXSBLKBEK-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 53.29
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 tetramethyl-(2-methylcyclopenta-1,3-dien-1-yl)-λ5-phosphane?
The IUPAC name of tetramethyl-(2-methylcyclopenta-1,3-dien-1-yl)-λ5-phosphane (CID 68906786) is tetramethyl-(2-methylcyclopenta-1,3-dien-1-yl)-λ5-phosphane.
What is the SMILES notation for tetramethyl-(2-methylcyclopenta-1,3-dien-1-yl)-λ5-phosphane?
The canonical SMILES for tetramethyl-(2-methylcyclopenta-1,3-dien-1-yl)-λ5-phosphane is CC1=C(P(C)(C)(C)C)CC=C1.
What is the InChIKey of tetramethyl-(2-methylcyclopenta-1,3-dien-1-yl)-λ5-phosphane?
The InChIKey is HOQWJIXSBLKBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19P/c1-9-7-6-8-10(9)11(2,3,4)5/h6-7H,8H2,1-5H3.
What are the key properties of tetramethyl-(2-methylcyclopenta-1,3-dien-1-yl)-λ5-phosphane?
tetramethyl-(2-methylcyclopenta-1,3-dien-1-yl)-λ5-phosphane has a molecular weight of 170.24 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl-(2-methylcyclopenta-1,3-dien-1-yl)-λ5-phosphane is sourced from PubChem (CID 68906786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).