3,7,11,15-tetramethylhexadec-1-en-3-yl dihydrogen phosphate

C20H41O4P — CID 58871464

IUPAC3,7,11,15-tetramethylhexadec-1-en-3-yl dihydrogen phosphate
SMILESC=CC(C)(CCCC(C)CCCC(C)CCCC(C)C)OP(=O)(O)O
InChIInChI=1S/C20H41O4P/c1-7-20(6,24-25(21,22)23)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19H,1,8-16H2,2-6H3,(H2,21,22,23)
InChIKeyIWFKJDFADQTXJO-UHFFFAOYSA-N
MW376.52 g/mol
LogP6.48
Rot. Bonds15

About 3,7,11,15-tetramethylhexadec-1-en-3-yl dihydrogen phosphate

3,7,11,15-tetramethylhexadec-1-en-3-yl dihydrogen phosphate (PubChem CID 58871464) has the molecular formula C20H41O4P and a molecular weight of 376.52 g/mol. Its IUPAC name is 3,7,11,15-tetramethylhexadec-1-en-3-yl dihydrogen phosphate.

Molecular Properties

Compound Name3,7,11,15-tetramethylhexadec-1-en-3-yl dihydrogen phosphate
PubChem CID58871464
Molecular FormulaC20H41O4P
Molecular Weight376.52 g/mol
Exact Mass376.27
IUPAC Name3,7,11,15-tetramethylhexadec-1-en-3-yl dihydrogen phosphate
SMILESC=CC(C)(CCCC(C)CCCC(C)CCCC(C)C)OP(=O)(O)O
InChIInChI=1S/C20H41O4P/c1-7-20(6,24-25(21,22)23)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19H,1,8-16H2,2-6H3,(H2,21,22,23)
InChIKeyIWFKJDFADQTXJO-UHFFFAOYSA-N
XLogP6.48
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.52
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene-3,4-diol
CID 162957304
2,2-dimethoxy-6,10,14-trimethylpentadecane
CID 118520250
3,6-dimethylhept-1-en-3-yl acetate
CID 154263841
[dichloro-[hydroxy-[(7S)-3,7,11-trimethyldodecoxy]phosphoryl]methyl]phosphonic acid
CID 138393309
14-methoxy-2,6,10,14-tetramethylhexadecane
CID 91173941
2,6-dimethylheptan-2-yl phosphate
CID 58871450
2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile
CID 3268041
(6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol
CID 15602246
methane;2,2,5,9,13-pentamethyltetradecane
CID 159071940
(3R,7S)-3,7,11-trimethyldodec-1-ene
CID 25113592
tris(3,7,11-trimethyldodecyl) phosphate
CID 54444487
(7R,11R)-3,7,11,15-tetramethyl-3-nitrosohexadec-1-yne
CID 118520931

Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethylhexadec-1-en-3-yl dihydrogen phosphate?
The IUPAC name of 3,7,11,15-tetramethylhexadec-1-en-3-yl dihydrogen phosphate (CID 58871464) is 3,7,11,15-tetramethylhexadec-1-en-3-yl dihydrogen phosphate.
What is the SMILES notation for 3,7,11,15-tetramethylhexadec-1-en-3-yl dihydrogen phosphate?
The canonical SMILES for 3,7,11,15-tetramethylhexadec-1-en-3-yl dihydrogen phosphate is C=CC(C)(CCCC(C)CCCC(C)CCCC(C)C)OP(=O)(O)O.
What is the InChIKey of 3,7,11,15-tetramethylhexadec-1-en-3-yl dihydrogen phosphate?
The InChIKey is IWFKJDFADQTXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41O4P/c1-7-20(6,24-25(21,22)23)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19H,1,8-16H2,2-6H3,(H2,21,22,23).
What are the key properties of 3,7,11,15-tetramethylhexadec-1-en-3-yl dihydrogen phosphate?
3,7,11,15-tetramethylhexadec-1-en-3-yl dihydrogen phosphate has a molecular weight of 376.52 g/mol, XLogP of 6.48, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethylhexadec-1-en-3-yl dihydrogen phosphate is sourced from PubChem (CID 58871464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).