ethane;[3-methyl-2-(5-methyl-2-phosphanylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-dien-1-yl]phosphane

C16H28P2 — CID 54171034

IUPACethane;[3-methyl-2-(5-methyl-2-phosphanylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-dien-1-yl]phosphane
SMILESCC.CC.CC1=CCC(P)=C1C1=C(P)CC=C1C
InChIInChI=1S/C12H16P2.2C2H6/c1-7-3-5-9(13)11(7)12-8(2)4-6-10(12)14;2*1-2/h3-4H,5-6,13-14H2,1-2H3;2*1-2H3
InChIKeyOVBATPCPTFDOTL-UHFFFAOYSA-N
MW282.35 g/mol
LogP6.00
Rot. Bonds1

About ethane;[3-methyl-2-(5-methyl-2-phosphanylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-dien-1-yl]phosphane

ethane;[3-methyl-2-(5-methyl-2-phosphanylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-dien-1-yl]phosphane (PubChem CID 54171034) has the molecular formula C16H28P2 and a molecular weight of 282.35 g/mol. Its IUPAC name is ethane;[3-methyl-2-(5-methyl-2-phosphanylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-dien-1-yl]phosphane.

Molecular Properties

Compound Nameethane;[3-methyl-2-(5-methyl-2-phosphanylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-dien-1-yl]phosphane
PubChem CID54171034
Molecular FormulaC16H28P2
Molecular Weight282.35 g/mol
Exact Mass282.17
IUPAC Nameethane;[3-methyl-2-(5-methyl-2-phosphanylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-dien-1-yl]phosphane
SMILESCC.CC.CC1=CCC(P)=C1C1=C(P)CC=C1C
InChIInChI=1S/C12H16P2.2C2H6/c1-7-3-5-9(13)11(7)12-8(2)4-6-10(12)14;2*1-2/h3-4H,5-6,13-14H2,1-2H3;2*1-2H3
InChIKeyOVBATPCPTFDOTL-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.35
LogP ≤ 56.00
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 ethane;[3-methyl-2-(5-methyl-2-phosphanylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-dien-1-yl]phosphane?
The IUPAC name of ethane;[3-methyl-2-(5-methyl-2-phosphanylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-dien-1-yl]phosphane (CID 54171034) is ethane;[3-methyl-2-(5-methyl-2-phosphanylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-dien-1-yl]phosphane.
What is the SMILES notation for ethane;[3-methyl-2-(5-methyl-2-phosphanylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-dien-1-yl]phosphane?
The canonical SMILES for ethane;[3-methyl-2-(5-methyl-2-phosphanylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-dien-1-yl]phosphane is CC.CC.CC1=CCC(P)=C1C1=C(P)CC=C1C.
What is the InChIKey of ethane;[3-methyl-2-(5-methyl-2-phosphanylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-dien-1-yl]phosphane?
The InChIKey is OVBATPCPTFDOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16P2.2C2H6/c1-7-3-5-9(13)11(7)12-8(2)4-6-10(12)14;2*1-2/h3-4H,5-6,13-14H2,1-2H3;2*1-2H3.
What are the key properties of ethane;[3-methyl-2-(5-methyl-2-phosphanylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-dien-1-yl]phosphane?
ethane;[3-methyl-2-(5-methyl-2-phosphanylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-dien-1-yl]phosphane has a molecular weight of 282.35 g/mol, XLogP of 6.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-methyl-2-(5-methyl-2-phosphanylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-dien-1-yl]phosphane is sourced from PubChem (CID 54171034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).