(6-ethyl-6,9-dimethyl-8-propyl-3-bicyclo[5.2.0]nonanyl)phosphane

C16H31P — CID 134319570

IUPAC(6-ethyl-6,9-dimethyl-8-propyl-3-bicyclo[5.2.0]nonanyl)phosphane
SMILESCCCC1C(C)C2CC(P)CCC(C)(CC)C12
InChIInChI=1S/C16H31P/c1-5-7-13-11(3)14-10-12(17)8-9-16(4,6-2)15(13)14/h11-15H,5-10,17H2,1-4H3
InChIKeyFBUWWKZWENVDDQ-UHFFFAOYSA-N
MW254.40 g/mol
LogP5.13
Rot. Bonds3

About (6-ethyl-6,9-dimethyl-8-propyl-3-bicyclo[5.2.0]nonanyl)phosphane

(6-ethyl-6,9-dimethyl-8-propyl-3-bicyclo[5.2.0]nonanyl)phosphane (PubChem CID 134319570) has the molecular formula C16H31P and a molecular weight of 254.40 g/mol. Its IUPAC name is (6-ethyl-6,9-dimethyl-8-propyl-3-bicyclo[5.2.0]nonanyl)phosphane.

Molecular Properties

Compound Name(6-ethyl-6,9-dimethyl-8-propyl-3-bicyclo[5.2.0]nonanyl)phosphane
PubChem CID134319570
Molecular FormulaC16H31P
Molecular Weight254.40 g/mol
Exact Mass254.22
IUPAC Name(6-ethyl-6,9-dimethyl-8-propyl-3-bicyclo[5.2.0]nonanyl)phosphane
SMILESCCCC1C(C)C2CC(P)CCC(C)(CC)C12
InChIInChI=1S/C16H31P/c1-5-7-13-11(3)14-10-12(17)8-9-16(4,6-2)15(13)14/h11-15H,5-10,17H2,1-4H3
InChIKeyFBUWWKZWENVDDQ-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.40
LogP ≤ 55.13
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 (6-ethyl-6,9-dimethyl-8-propyl-3-bicyclo[5.2.0]nonanyl)phosphane?
The IUPAC name of (6-ethyl-6,9-dimethyl-8-propyl-3-bicyclo[5.2.0]nonanyl)phosphane (CID 134319570) is (6-ethyl-6,9-dimethyl-8-propyl-3-bicyclo[5.2.0]nonanyl)phosphane.
What is the SMILES notation for (6-ethyl-6,9-dimethyl-8-propyl-3-bicyclo[5.2.0]nonanyl)phosphane?
The canonical SMILES for (6-ethyl-6,9-dimethyl-8-propyl-3-bicyclo[5.2.0]nonanyl)phosphane is CCCC1C(C)C2CC(P)CCC(C)(CC)C12.
What is the InChIKey of (6-ethyl-6,9-dimethyl-8-propyl-3-bicyclo[5.2.0]nonanyl)phosphane?
The InChIKey is FBUWWKZWENVDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31P/c1-5-7-13-11(3)14-10-12(17)8-9-16(4,6-2)15(13)14/h11-15H,5-10,17H2,1-4H3.
What are the key properties of (6-ethyl-6,9-dimethyl-8-propyl-3-bicyclo[5.2.0]nonanyl)phosphane?
(6-ethyl-6,9-dimethyl-8-propyl-3-bicyclo[5.2.0]nonanyl)phosphane has a molecular weight of 254.40 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-6,9-dimethyl-8-propyl-3-bicyclo[5.2.0]nonanyl)phosphane is sourced from PubChem (CID 134319570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).