(5-ethyl-3-methylocta-5,7-dien-2-yl)-hex-1-en-2-ylphosphane

C17H31P — CID 123581563

IUPAC(5-ethyl-3-methylocta-5,7-dien-2-yl)-hex-1-en-2-ylphosphane
SMILESC=CC=C(CC)CC(C)C(C)PC(=C)CCCC
InChIInChI=1S/C17H31P/c1-7-10-12-15(5)18-16(6)14(4)13-17(9-3)11-8-2/h8,11,14,16,18H,2,5,7,9-10,12-13H2,1,3-4,6H3
InChIKeyYRUBJLDJBLFOMK-UHFFFAOYSA-N
MW266.41 g/mol
LogP6.31
Rot. Bonds10

About (5-ethyl-3-methylocta-5,7-dien-2-yl)-hex-1-en-2-ylphosphane

(5-ethyl-3-methylocta-5,7-dien-2-yl)-hex-1-en-2-ylphosphane (PubChem CID 123581563) has the molecular formula C17H31P and a molecular weight of 266.41 g/mol. Its IUPAC name is (5-ethyl-3-methylocta-5,7-dien-2-yl)-hex-1-en-2-ylphosphane.

Molecular Properties

Compound Name(5-ethyl-3-methylocta-5,7-dien-2-yl)-hex-1-en-2-ylphosphane
PubChem CID123581563
Molecular FormulaC17H31P
Molecular Weight266.41 g/mol
Exact Mass266.22
IUPAC Name(5-ethyl-3-methylocta-5,7-dien-2-yl)-hex-1-en-2-ylphosphane
SMILESC=CC=C(CC)CC(C)C(C)PC(=C)CCCC
InChIInChI=1S/C17H31P/c1-7-10-12-15(5)18-16(6)14(4)13-17(9-3)11-8-2/h8,11,14,16,18H,2,5,7,9-10,12-13H2,1,3-4,6H3
InChIKeyYRUBJLDJBLFOMK-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.41
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-3-methylocta-5,7-dien-2-yl)-hex-1-en-2-ylphosphane?
The IUPAC name of (5-ethyl-3-methylocta-5,7-dien-2-yl)-hex-1-en-2-ylphosphane (CID 123581563) is (5-ethyl-3-methylocta-5,7-dien-2-yl)-hex-1-en-2-ylphosphane.
What is the SMILES notation for (5-ethyl-3-methylocta-5,7-dien-2-yl)-hex-1-en-2-ylphosphane?
The canonical SMILES for (5-ethyl-3-methylocta-5,7-dien-2-yl)-hex-1-en-2-ylphosphane is C=CC=C(CC)CC(C)C(C)PC(=C)CCCC.
What is the InChIKey of (5-ethyl-3-methylocta-5,7-dien-2-yl)-hex-1-en-2-ylphosphane?
The InChIKey is YRUBJLDJBLFOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31P/c1-7-10-12-15(5)18-16(6)14(4)13-17(9-3)11-8-2/h8,11,14,16,18H,2,5,7,9-10,12-13H2,1,3-4,6H3.
What are the key properties of (5-ethyl-3-methylocta-5,7-dien-2-yl)-hex-1-en-2-ylphosphane?
(5-ethyl-3-methylocta-5,7-dien-2-yl)-hex-1-en-2-ylphosphane has a molecular weight of 266.41 g/mol, XLogP of 6.31, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-3-methylocta-5,7-dien-2-yl)-hex-1-en-2-ylphosphane is sourced from PubChem (CID 123581563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).