(3-tert-butylcyclopenta-1,4-dien-1-yl)-di(propan-2-yl)phosphane

C15H27P — CID 170690127

IUPAC(3-tert-butylcyclopenta-1,4-dien-1-yl)-di(propan-2-yl)phosphane
SMILESCC(C)P(C1=CC(C(C)(C)C)C=C1)C(C)C
InChIInChI=1S/C15H27P/c1-11(2)16(12(3)4)14-9-8-13(10-14)15(5,6)7/h8-13H,1-7H3
InChIKeyLBNWUGOZVZKIOX-UHFFFAOYSA-N
MW238.35 g/mol
LogP5.40
Rot. Bonds3

About (3-tert-butylcyclopenta-1,4-dien-1-yl)-di(propan-2-yl)phosphane

(3-tert-butylcyclopenta-1,4-dien-1-yl)-di(propan-2-yl)phosphane (PubChem CID 170690127) has the molecular formula C15H27P and a molecular weight of 238.35 g/mol. Its IUPAC name is (3-tert-butylcyclopenta-1,4-dien-1-yl)-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name(3-tert-butylcyclopenta-1,4-dien-1-yl)-di(propan-2-yl)phosphane
PubChem CID170690127
Molecular FormulaC15H27P
Molecular Weight238.35 g/mol
Exact Mass238.19
IUPAC Name(3-tert-butylcyclopenta-1,4-dien-1-yl)-di(propan-2-yl)phosphane
SMILESCC(C)P(C1=CC(C(C)(C)C)C=C1)C(C)C
InChIInChI=1S/C15H27P/c1-11(2)16(12(3)4)14-9-8-13(10-14)15(5,6)7/h8-13H,1-7H3
InChIKeyLBNWUGOZVZKIOX-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.35
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3-tert-butylcyclopenta-1,4-dien-1-yl)-di(propan-2-yl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-ditert-butylcyclohexa-1,4-diene
CID 13283199
ditert-butyl-(3-ditert-butylphosphanylcyclopenta-1,4-dien-1-yl)phosphane
CID 102049504
1,5-ditert-butyl-1,5-dihydropentalene
CID 165044993
5,11-di(butan-2-yl)-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
CID 101094449
7-tert-butyl-3-[2-(4-methylcyclohexyl)ethyl]cyclohepta-1,3,5-triene
CID 90758141
4-tert-butyl-1-ethyl-4H-borinine
CID 140994050
7-tert-butylbicyclo[2.2.1]hepta-2,5-diene
CID 15153947
3,3-dimethyl-N-(4-propan-2-ylcyclohepta-2,4,6-trien-1-yl)butanamide
CID 138710604
9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
CID 100964973
2-(2-methylbutan-2-yl)-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
CID 20531315
7-butan-2-yl-3-methylcyclohepta-1,3,5-triene
CID 123535959
(2,5-ditert-butyl-1H-pyrrol-3-yl)-di(propan-2-yl)phosphane
CID 102114276

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylcyclopenta-1,4-dien-1-yl)-di(propan-2-yl)phosphane?
The IUPAC name of (3-tert-butylcyclopenta-1,4-dien-1-yl)-di(propan-2-yl)phosphane (CID 170690127) is (3-tert-butylcyclopenta-1,4-dien-1-yl)-di(propan-2-yl)phosphane.
What is the SMILES notation for (3-tert-butylcyclopenta-1,4-dien-1-yl)-di(propan-2-yl)phosphane?
The canonical SMILES for (3-tert-butylcyclopenta-1,4-dien-1-yl)-di(propan-2-yl)phosphane is CC(C)P(C1=CC(C(C)(C)C)C=C1)C(C)C.
What is the InChIKey of (3-tert-butylcyclopenta-1,4-dien-1-yl)-di(propan-2-yl)phosphane?
The InChIKey is LBNWUGOZVZKIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27P/c1-11(2)16(12(3)4)14-9-8-13(10-14)15(5,6)7/h8-13H,1-7H3.
What are the key properties of (3-tert-butylcyclopenta-1,4-dien-1-yl)-di(propan-2-yl)phosphane?
(3-tert-butylcyclopenta-1,4-dien-1-yl)-di(propan-2-yl)phosphane has a molecular weight of 238.35 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylcyclopenta-1,4-dien-1-yl)-di(propan-2-yl)phosphane is sourced from PubChem (CID 170690127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).