2-di(hexan-2-yl)phosphoryloxyhexane

C18H39O2P — CID 174842913

IUPAC2-di(hexan-2-yl)phosphoryloxyhexane
SMILESCCCCC(C)OP(=O)(C(C)CCCC)C(C)CCCC
InChIInChI=1S/C18H39O2P/c1-7-10-13-16(4)20-21(19,17(5)14-11-8-2)18(6)15-12-9-3/h16-18H,7-15H2,1-6H3
InChIKeyKVUKQJYCIPOARP-UHFFFAOYSA-N
MW318.48 g/mol
LogP7.02
Rot. Bonds13

About 2-di(hexan-2-yl)phosphoryloxyhexane

2-di(hexan-2-yl)phosphoryloxyhexane (PubChem CID 174842913) has the molecular formula C18H39O2P and a molecular weight of 318.48 g/mol. Its IUPAC name is 2-di(hexan-2-yl)phosphoryloxyhexane.

Molecular Properties

Compound Name2-di(hexan-2-yl)phosphoryloxyhexane
PubChem CID174842913
Molecular FormulaC18H39O2P
Molecular Weight318.48 g/mol
Exact Mass318.27
IUPAC Name2-di(hexan-2-yl)phosphoryloxyhexane
SMILESCCCCC(C)OP(=O)(C(C)CCCC)C(C)CCCC
InChIInChI=1S/C18H39O2P/c1-7-10-13-16(4)20-21(19,17(5)14-11-8-2)18(6)15-12-9-3/h16-18H,7-15H2,1-6H3
InChIKeyKVUKQJYCIPOARP-UHFFFAOYSA-N
XLogP7.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.48
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[octan-2-yl(octan-2-yloxy)phosphoryl]oxyoctane
CID 88710365
dihexan-2-yl phosphate;zinc
CID 140567710
2-[ethyl(octan-2-yloxy)phosphoryl]oxyoctane
CID 170850980
nonadecan-2-yl phosphate
CID 21219886
2-[methoxy(methyl)phosphoryl]hexane
CID 87946542
dioctan-2-yl phosphate;iron(2+)
CID 157379729
dipotassium;tridecan-2-yl phosphate
CID 139671549
tris(dioctan-2-yl phosphate);neodymium(3+)
CID 22237881
decan-2-yloxy(methyl)phosphinate
CID 170850603
butyl diheptan-2-yl phosphate
CID 22497679
octan-2-yloxy(propyl)phosphinic acid
CID 87194607
dihexan-2-yl phenyl phosphate
CID 68798686

Frequently Asked Questions

What is the IUPAC name of 2-di(hexan-2-yl)phosphoryloxyhexane?
The IUPAC name of 2-di(hexan-2-yl)phosphoryloxyhexane (CID 174842913) is 2-di(hexan-2-yl)phosphoryloxyhexane.
What is the SMILES notation for 2-di(hexan-2-yl)phosphoryloxyhexane?
The canonical SMILES for 2-di(hexan-2-yl)phosphoryloxyhexane is CCCCC(C)OP(=O)(C(C)CCCC)C(C)CCCC.
What is the InChIKey of 2-di(hexan-2-yl)phosphoryloxyhexane?
The InChIKey is KVUKQJYCIPOARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39O2P/c1-7-10-13-16(4)20-21(19,17(5)14-11-8-2)18(6)15-12-9-3/h16-18H,7-15H2,1-6H3.
What are the key properties of 2-di(hexan-2-yl)phosphoryloxyhexane?
2-di(hexan-2-yl)phosphoryloxyhexane has a molecular weight of 318.48 g/mol, XLogP of 7.02, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-di(hexan-2-yl)phosphoryloxyhexane is sourced from PubChem (CID 174842913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).