5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol

C19H41OP — CID 140650153

IUPAC5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol
SMILESCCCCC(CC)CC(O)(CC(CC)CCCC)C(C)P
InChIInChI=1S/C19H41OP/c1-6-10-12-17(8-3)14-19(20,16(5)21)15-18(9-4)13-11-7-2/h16-18,20H,6-15,21H2,1-5H3
InChIKeyDQCKDCKUQVEBAL-UHFFFAOYSA-N
MW316.51 g/mol
LogP6.19
Rot. Bonds13

About 5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol

5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol (PubChem CID 140650153) has the molecular formula C19H41OP and a molecular weight of 316.51 g/mol. Its IUPAC name is 5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol.

Molecular Properties

Compound Name5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol
PubChem CID140650153
Molecular FormulaC19H41OP
Molecular Weight316.51 g/mol
Exact Mass316.29
IUPAC Name5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol
SMILESCCCCC(CC)CC(O)(CC(CC)CCCC)C(C)P
InChIInChI=1S/C19H41OP/c1-6-10-12-17(8-3)14-19(20,16(5)21)15-18(9-4)13-11-7-2/h16-18,20H,6-15,21H2,1-5H3
InChIKeyDQCKDCKUQVEBAL-UHFFFAOYSA-N
XLogP6.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.51
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol?
The IUPAC name of 5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol (CID 140650153) is 5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol.
What is the SMILES notation for 5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol?
The canonical SMILES for 5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol is CCCCC(CC)CC(O)(CC(CC)CCCC)C(C)P.
What is the InChIKey of 5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol?
The InChIKey is DQCKDCKUQVEBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41OP/c1-6-10-12-17(8-3)14-19(20,16(5)21)15-18(9-4)13-11-7-2/h16-18,20H,6-15,21H2,1-5H3.
What are the key properties of 5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol?
5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol has a molecular weight of 316.51 g/mol, XLogP of 6.19, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol is sourced from PubChem (CID 140650153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).