1-hydroxy-1,6-dimethyl-1,6-diphosphecan-1-ium

C10H23OP2+ — CID 10744521

IUPAC1-hydroxy-1,6-dimethyl-1,6-diphosphecan-1-ium
SMILESCP1CCCC[P+](C)(O)CCCC1
InChIInChI=1S/C10H23OP2/c1-12-7-3-5-9-13(2,11)10-6-4-8-12/h11H,3-10H2,1-2H3/q+1
InChIKeyXYUOJLGQNZJFTR-UHFFFAOYSA-N
MW221.24 g/mol
LogP3.23
Rot. Bonds

About 1-hydroxy-1,6-dimethyl-1,6-diphosphecan-1-ium

1-hydroxy-1,6-dimethyl-1,6-diphosphecan-1-ium (PubChem CID 10744521) has the molecular formula C10H23OP2+ and a molecular weight of 221.24 g/mol. Its IUPAC name is 1-hydroxy-1,6-dimethyl-1,6-diphosphecan-1-ium.

Molecular Properties

Compound Name1-hydroxy-1,6-dimethyl-1,6-diphosphecan-1-ium
PubChem CID10744521
Molecular FormulaC10H23OP2+
Molecular Weight221.24 g/mol
Exact Mass221.12
IUPAC Name1-hydroxy-1,6-dimethyl-1,6-diphosphecan-1-ium
SMILESCP1CCCC[P+](C)(O)CCCC1
InChIInChI=1S/C10H23OP2/c1-12-7-3-5-9-13(2,11)10-6-4-8-12/h11H,3-10H2,1-2H3/q+1
InChIKeyXYUOJLGQNZJFTR-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methylphosphocane
CID 129069924
1-bromo-1-methylphosphinan-1-ium
CID 71389385
1,1-dimethylphospholan-1-ium chloride
CID 19777739
gold(1+);1-methylphospholane;pyrazol-1-ide
CID 142486413
(3R,4S)-1,3,4-trimethylphospholane
CID 23279881
(5S)-1,5,9-trimethyl-9-phosphabicyclo[3.3.1]nonan-3-ol
CID 122493889
(2S)-1,2-dimethylphosphetane
CID 59207148
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(2R)-1-ethyl-1,2-dimethylsilolane
CID 140812457
bis(1,1-dimethanidylphospholan-1-ium);bis(gold(1+))
CID 135083055
cis-(1S,2R)-2-methylcyclopentan-1-ol
CID 642631
1-[3-(2,5-dimethylphospholan-1-yl)-1,4-ditritiobuta-1,3-dien-2-yl]-2,5-dimethylphospholane;yttrium
CID 59017162

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1,6-dimethyl-1,6-diphosphecan-1-ium?
The IUPAC name of 1-hydroxy-1,6-dimethyl-1,6-diphosphecan-1-ium (CID 10744521) is 1-hydroxy-1,6-dimethyl-1,6-diphosphecan-1-ium.
What is the SMILES notation for 1-hydroxy-1,6-dimethyl-1,6-diphosphecan-1-ium?
The canonical SMILES for 1-hydroxy-1,6-dimethyl-1,6-diphosphecan-1-ium is CP1CCCC[P+](C)(O)CCCC1.
What is the InChIKey of 1-hydroxy-1,6-dimethyl-1,6-diphosphecan-1-ium?
The InChIKey is XYUOJLGQNZJFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23OP2/c1-12-7-3-5-9-13(2,11)10-6-4-8-12/h11H,3-10H2,1-2H3/q+1.
What are the key properties of 1-hydroxy-1,6-dimethyl-1,6-diphosphecan-1-ium?
1-hydroxy-1,6-dimethyl-1,6-diphosphecan-1-ium has a molecular weight of 221.24 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1,6-dimethyl-1,6-diphosphecan-1-ium is sourced from PubChem (CID 10744521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).