10-[hydroxy(10-pentanoyloxydecoxy)phosphoryl]oxydecyl pentanoate

C30H59O8P — CID 139925196

IUPAC10-[hydroxy(10-pentanoyloxydecoxy)phosphoryl]oxydecyl pentanoate
SMILESCCCCC(=O)OCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCOC(=O)CCCC
InChIInChI=1S/C30H59O8P/c1-3-5-23-29(31)35-25-19-15-11-7-9-13-17-21-27-37-39(33,34)38-28-22-18-14-10-8-12-16-20-26-36-30(32)24-6-4-2/h3-28H2,1-2H3,(H,33,34)
InChIKeySXIKBUMKEINVJB-UHFFFAOYSA-N
MW578.77 g/mol
LogP8.83
Rot. Bonds30

About 10-[hydroxy(10-pentanoyloxydecoxy)phosphoryl]oxydecyl pentanoate

10-[hydroxy(10-pentanoyloxydecoxy)phosphoryl]oxydecyl pentanoate (PubChem CID 139925196) has the molecular formula C30H59O8P and a molecular weight of 578.77 g/mol. Its IUPAC name is 10-[hydroxy(10-pentanoyloxydecoxy)phosphoryl]oxydecyl pentanoate.

Molecular Properties

Compound Name10-[hydroxy(10-pentanoyloxydecoxy)phosphoryl]oxydecyl pentanoate
PubChem CID139925196
Molecular FormulaC30H59O8P
Molecular Weight578.77 g/mol
Exact Mass578.39
IUPAC Name10-[hydroxy(10-pentanoyloxydecoxy)phosphoryl]oxydecyl pentanoate
SMILESCCCCC(=O)OCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCOC(=O)CCCC
InChIInChI=1S/C30H59O8P/c1-3-5-23-29(31)35-25-19-15-11-7-9-13-17-21-27-37-39(33,34)38-28-22-18-14-10-8-12-16-20-26-36-30(32)24-6-4-2/h3-28H2,1-2H3,(H,33,34)
InChIKeySXIKBUMKEINVJB-UHFFFAOYSA-N
XLogP8.83
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds30
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.77
LogP ≤ 58.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

8-[8-butanoyloxyoctoxy(hydroxy)phosphoryl]oxyoctyl butanoate
CID 139925162
4-phosphonooxybutyl tetradecanoate
CID 15175669
nonyl pentanoate
CID 568602
hexyl nonyl hydrogen phosphate
CID 23169649
decyl dodecyl hydrogen phosphate
CID 20810618
hexadecyl hexyl hydrogen phosphate
CID 15132676
2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate
CID 164513427
3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropyl tetradecanoate
CID 130351819
5-O-hexadecyl 1-O-octyl pentanedioate
CID 91709211
octadecyl octanoate;octyl octanoate
CID 161346280
decyl decanoate
CID 158095494
1-O-hexyl 5-O-tetradecyl pentanedioate
CID 91705533

Frequently Asked Questions

What is the IUPAC name of 10-[hydroxy(10-pentanoyloxydecoxy)phosphoryl]oxydecyl pentanoate?
The IUPAC name of 10-[hydroxy(10-pentanoyloxydecoxy)phosphoryl]oxydecyl pentanoate (CID 139925196) is 10-[hydroxy(10-pentanoyloxydecoxy)phosphoryl]oxydecyl pentanoate.
What is the SMILES notation for 10-[hydroxy(10-pentanoyloxydecoxy)phosphoryl]oxydecyl pentanoate?
The canonical SMILES for 10-[hydroxy(10-pentanoyloxydecoxy)phosphoryl]oxydecyl pentanoate is CCCCC(=O)OCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCOC(=O)CCCC.
What is the InChIKey of 10-[hydroxy(10-pentanoyloxydecoxy)phosphoryl]oxydecyl pentanoate?
The InChIKey is SXIKBUMKEINVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59O8P/c1-3-5-23-29(31)35-25-19-15-11-7-9-13-17-21-27-37-39(33,34)38-28-22-18-14-10-8-12-16-20-26-36-30(32)24-6-4-2/h3-28H2,1-2H3,(H,33,34).
What are the key properties of 10-[hydroxy(10-pentanoyloxydecoxy)phosphoryl]oxydecyl pentanoate?
10-[hydroxy(10-pentanoyloxydecoxy)phosphoryl]oxydecyl pentanoate has a molecular weight of 578.77 g/mol, XLogP of 8.83, 30 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[hydroxy(10-pentanoyloxydecoxy)phosphoryl]oxydecyl pentanoate is sourced from PubChem (CID 139925196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).