(12-methyl-1-oxacycloheptadec-12-en-2-yl)phosphane

C17H33OP — CID 123277698

IUPAC(12-methyl-1-oxacycloheptadec-12-en-2-yl)phosphane
SMILESCC1=CCCCCOC(P)CCCCCCCCC1
InChIInChI=1S/C17H33OP/c1-16-12-8-5-3-2-4-6-10-14-17(19)18-15-11-7-9-13-16/h13,17H,2-12,14-15,19H2,1H3
InChIKeyNNLVJBNNSZNZBW-UHFFFAOYSA-N
MW284.42 g/mol
LogP5.85
Rot. Bonds

About (12-methyl-1-oxacycloheptadec-12-en-2-yl)phosphane

(12-methyl-1-oxacycloheptadec-12-en-2-yl)phosphane (PubChem CID 123277698) has the molecular formula C17H33OP and a molecular weight of 284.42 g/mol. Its IUPAC name is (12-methyl-1-oxacycloheptadec-12-en-2-yl)phosphane.

Molecular Properties

Compound Name(12-methyl-1-oxacycloheptadec-12-en-2-yl)phosphane
PubChem CID123277698
Molecular FormulaC17H33OP
Molecular Weight284.42 g/mol
Exact Mass284.23
IUPAC Name(12-methyl-1-oxacycloheptadec-12-en-2-yl)phosphane
SMILESCC1=CCCCCOC(P)CCCCCCCCC1
InChIInChI=1S/C17H33OP/c1-16-12-8-5-3-2-4-6-10-14-17(19)18-15-11-7-9-13-16/h13,17H,2-12,14-15,19H2,1H3
InChIKeyNNLVJBNNSZNZBW-UHFFFAOYSA-N
XLogP5.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.42
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (12-methyl-1-oxacycloheptadec-12-en-2-yl)phosphane?
The IUPAC name of (12-methyl-1-oxacycloheptadec-12-en-2-yl)phosphane (CID 123277698) is (12-methyl-1-oxacycloheptadec-12-en-2-yl)phosphane.
What is the SMILES notation for (12-methyl-1-oxacycloheptadec-12-en-2-yl)phosphane?
The canonical SMILES for (12-methyl-1-oxacycloheptadec-12-en-2-yl)phosphane is CC1=CCCCCOC(P)CCCCCCCCC1.
What is the InChIKey of (12-methyl-1-oxacycloheptadec-12-en-2-yl)phosphane?
The InChIKey is NNLVJBNNSZNZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33OP/c1-16-12-8-5-3-2-4-6-10-14-17(19)18-15-11-7-9-13-16/h13,17H,2-12,14-15,19H2,1H3.
What are the key properties of (12-methyl-1-oxacycloheptadec-12-en-2-yl)phosphane?
(12-methyl-1-oxacycloheptadec-12-en-2-yl)phosphane has a molecular weight of 284.42 g/mol, XLogP of 5.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (12-methyl-1-oxacycloheptadec-12-en-2-yl)phosphane is sourced from PubChem (CID 123277698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).