(1,6-dimethylcyclohexa-2,4-dien-1-yl)-dipropylphosphane

C14H25P — CID 141415091

IUPAC(1,6-dimethylcyclohexa-2,4-dien-1-yl)-dipropylphosphane
SMILESCCCP(CCC)C1(C)C=CC=CC1C
InChIInChI=1S/C14H25P/c1-5-11-15(12-6-2)14(4)10-8-7-9-13(14)3/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeySFHZJVFRKHXCTO-UHFFFAOYSA-N
MW224.33 g/mol
LogP4.81
Rot. Bonds5

About (1,6-dimethylcyclohexa-2,4-dien-1-yl)-dipropylphosphane

(1,6-dimethylcyclohexa-2,4-dien-1-yl)-dipropylphosphane (PubChem CID 141415091) has the molecular formula C14H25P and a molecular weight of 224.33 g/mol. Its IUPAC name is (1,6-dimethylcyclohexa-2,4-dien-1-yl)-dipropylphosphane.

Molecular Properties

Compound Name(1,6-dimethylcyclohexa-2,4-dien-1-yl)-dipropylphosphane
PubChem CID141415091
Molecular FormulaC14H25P
Molecular Weight224.33 g/mol
Exact Mass224.17
IUPAC Name(1,6-dimethylcyclohexa-2,4-dien-1-yl)-dipropylphosphane
SMILESCCCP(CCC)C1(C)C=CC=CC1C
InChIInChI=1S/C14H25P/c1-5-11-15(12-6-2)14(4)10-8-7-9-13(14)3/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeySFHZJVFRKHXCTO-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 54.81
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 (1,6-dimethylcyclohexa-2,4-dien-1-yl)-dipropylphosphane?
The IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl)-dipropylphosphane (CID 141415091) is (1,6-dimethylcyclohexa-2,4-dien-1-yl)-dipropylphosphane.
What is the SMILES notation for (1,6-dimethylcyclohexa-2,4-dien-1-yl)-dipropylphosphane?
The canonical SMILES for (1,6-dimethylcyclohexa-2,4-dien-1-yl)-dipropylphosphane is CCCP(CCC)C1(C)C=CC=CC1C.
What is the InChIKey of (1,6-dimethylcyclohexa-2,4-dien-1-yl)-dipropylphosphane?
The InChIKey is SFHZJVFRKHXCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25P/c1-5-11-15(12-6-2)14(4)10-8-7-9-13(14)3/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of (1,6-dimethylcyclohexa-2,4-dien-1-yl)-dipropylphosphane?
(1,6-dimethylcyclohexa-2,4-dien-1-yl)-dipropylphosphane has a molecular weight of 224.33 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethylcyclohexa-2,4-dien-1-yl)-dipropylphosphane is sourced from PubChem (CID 141415091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).