3,3,4-trimethyloct-7-enylphosphane

C11H23P — CID 146646971

IUPAC3,3,4-trimethyloct-7-enylphosphane
SMILESC=CCCC(C)C(C)(C)CCP
InChIInChI=1S/C11H23P/c1-5-6-7-10(2)11(3,4)8-9-12/h5,10H,1,6-9,12H2,2-4H3
InChIKeyPQZQKNAJDSWZQN-UHFFFAOYSA-N
MW186.28 g/mol
LogP3.88
Rot. Bonds6

About 3,3,4-trimethyloct-7-enylphosphane

3,3,4-trimethyloct-7-enylphosphane (PubChem CID 146646971) has the molecular formula C11H23P and a molecular weight of 186.28 g/mol. Its IUPAC name is 3,3,4-trimethyloct-7-enylphosphane.

Molecular Properties

Compound Name3,3,4-trimethyloct-7-enylphosphane
PubChem CID146646971
Molecular FormulaC11H23P
Molecular Weight186.28 g/mol
Exact Mass186.15
IUPAC Name3,3,4-trimethyloct-7-enylphosphane
SMILESC=CCCC(C)C(C)(C)CCP
InChIInChI=1S/C11H23P/c1-5-6-7-10(2)11(3,4)8-9-12/h5,10H,1,6-9,12H2,2-4H3
InChIKeyPQZQKNAJDSWZQN-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethyloct-7-enylphosphane?
The IUPAC name of 3,3,4-trimethyloct-7-enylphosphane (CID 146646971) is 3,3,4-trimethyloct-7-enylphosphane.
What is the SMILES notation for 3,3,4-trimethyloct-7-enylphosphane?
The canonical SMILES for 3,3,4-trimethyloct-7-enylphosphane is C=CCCC(C)C(C)(C)CCP.
What is the InChIKey of 3,3,4-trimethyloct-7-enylphosphane?
The InChIKey is PQZQKNAJDSWZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23P/c1-5-6-7-10(2)11(3,4)8-9-12/h5,10H,1,6-9,12H2,2-4H3.
What are the key properties of 3,3,4-trimethyloct-7-enylphosphane?
3,3,4-trimethyloct-7-enylphosphane has a molecular weight of 186.28 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethyloct-7-enylphosphane is sourced from PubChem (CID 146646971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).