5,8-diethyldodecan-6-yl dihydrogen phosphite

C16H35O3P — CID 21249648

IUPAC5,8-diethyldodecan-6-yl dihydrogen phosphite
SMILESCCCCC(CC)CC(OP(O)O)C(CC)CCCC
InChIInChI=1S/C16H35O3P/c1-5-9-11-14(7-3)13-16(19-20(17)18)15(8-4)12-10-6-2/h14-18H,5-13H2,1-4H3
InChIKeyQBCVMQLDWGGBFQ-UHFFFAOYSA-N
MW306.43 g/mol
LogP5.41
Rot. Bonds13

About 5,8-diethyldodecan-6-yl dihydrogen phosphite

5,8-diethyldodecan-6-yl dihydrogen phosphite (PubChem CID 21249648) has the molecular formula C16H35O3P and a molecular weight of 306.43 g/mol. Its IUPAC name is 5,8-diethyldodecan-6-yl dihydrogen phosphite.

Molecular Properties

Compound Name5,8-diethyldodecan-6-yl dihydrogen phosphite
PubChem CID21249648
Molecular FormulaC16H35O3P
Molecular Weight306.43 g/mol
Exact Mass306.23
IUPAC Name5,8-diethyldodecan-6-yl dihydrogen phosphite
SMILESCCCCC(CC)CC(OP(O)O)C(CC)CCCC
InChIInChI=1S/C16H35O3P/c1-5-9-11-14(7-3)13-16(19-20(17)18)15(8-4)12-10-6-2/h14-18H,5-13H2,1-4H3
InChIKeyQBCVMQLDWGGBFQ-UHFFFAOYSA-N
XLogP5.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.43
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,8-diethyl-6-(2-ethylhexoxy)dodecane
CID 123215209
bis(5,8-diethyldodecan-6-yloxy)-oxophosphanium
CID 23131996
5,8-diethyldodecan-6-yloxy(hydroxymethyl)phosphinic acid
CID 88750018
4-(5,8-diethyldodecan-6-yloxy)-4-oxobut-2-enoic acid
CID 173071338
4,5,7-triethylundecane
CID 123222302
8-butan-2-yl-6-ethylpentadecane
CID 123398993
5,8,10-triethylpentadecane
CID 123791231
(5S)-3,5-diethylnonane;methane
CID 159387669
4,7-diethyldodecan-6-ol
CID 545879
(2R,4S)-4-ethyloctan-2-ol
CID 7015159
4-ethyl-3-(4-ethyl-1-sulfanyloctan-3-yl)oxyoctane-1-thiol
CID 139643596
7-ethyl-5-methoxy-4-(methoxymethyl)undecane
CID 150587909

Frequently Asked Questions

What is the IUPAC name of 5,8-diethyldodecan-6-yl dihydrogen phosphite?
The IUPAC name of 5,8-diethyldodecan-6-yl dihydrogen phosphite (CID 21249648) is 5,8-diethyldodecan-6-yl dihydrogen phosphite.
What is the SMILES notation for 5,8-diethyldodecan-6-yl dihydrogen phosphite?
The canonical SMILES for 5,8-diethyldodecan-6-yl dihydrogen phosphite is CCCCC(CC)CC(OP(O)O)C(CC)CCCC.
What is the InChIKey of 5,8-diethyldodecan-6-yl dihydrogen phosphite?
The InChIKey is QBCVMQLDWGGBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35O3P/c1-5-9-11-14(7-3)13-16(19-20(17)18)15(8-4)12-10-6-2/h14-18H,5-13H2,1-4H3.
What are the key properties of 5,8-diethyldodecan-6-yl dihydrogen phosphite?
5,8-diethyldodecan-6-yl dihydrogen phosphite has a molecular weight of 306.43 g/mol, XLogP of 5.41, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diethyldodecan-6-yl dihydrogen phosphite is sourced from PubChem (CID 21249648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).