(4-methyloxan-4-yl)-pentylphosphane

C11H23OP — CID 174333348

IUPAC(4-methyloxan-4-yl)-pentylphosphane
SMILESCCCCCPC1(C)CCOCC1
InChIInChI=1S/C11H23OP/c1-3-4-5-10-13-11(2)6-8-12-9-7-11/h13H,3-10H2,1-2H3
InChIKeyUYRFVVFDWSVOPG-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.42
Rot. Bonds5

About (4-methyloxan-4-yl)-pentylphosphane

(4-methyloxan-4-yl)-pentylphosphane (PubChem CID 174333348) has the molecular formula C11H23OP and a molecular weight of 202.28 g/mol. Its IUPAC name is (4-methyloxan-4-yl)-pentylphosphane.

Molecular Properties

Compound Name(4-methyloxan-4-yl)-pentylphosphane
PubChem CID174333348
Molecular FormulaC11H23OP
Molecular Weight202.28 g/mol
Exact Mass202.15
IUPAC Name(4-methyloxan-4-yl)-pentylphosphane
SMILESCCCCCPC1(C)CCOCC1
InChIInChI=1S/C11H23OP/c1-3-4-5-10-13-11(2)6-8-12-9-7-11/h13H,3-10H2,1-2H3
InChIKeyUYRFVVFDWSVOPG-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methyloxan-4-yl)-pentylphosphane?
The IUPAC name of (4-methyloxan-4-yl)-pentylphosphane (CID 174333348) is (4-methyloxan-4-yl)-pentylphosphane.
What is the SMILES notation for (4-methyloxan-4-yl)-pentylphosphane?
The canonical SMILES for (4-methyloxan-4-yl)-pentylphosphane is CCCCCPC1(C)CCOCC1.
What is the InChIKey of (4-methyloxan-4-yl)-pentylphosphane?
The InChIKey is UYRFVVFDWSVOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23OP/c1-3-4-5-10-13-11(2)6-8-12-9-7-11/h13H,3-10H2,1-2H3.
What are the key properties of (4-methyloxan-4-yl)-pentylphosphane?
(4-methyloxan-4-yl)-pentylphosphane has a molecular weight of 202.28 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyloxan-4-yl)-pentylphosphane is sourced from PubChem (CID 174333348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).