(2-methyloxan-2-yl)phosphonic acid

C6H13O4P — CID 18475089

IUPAC(2-methyloxan-2-yl)phosphonic acid
SMILESCC1(P(=O)(O)O)CCCCO1
InChIInChI=1S/C6H13O4P/c1-6(11(7,8)9)4-2-3-5-10-6/h2-5H2,1H3,(H2,7,8,9)
InChIKeyCCTUZHGJZPABFQ-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.08
Rot. Bonds1

About (2-methyloxan-2-yl)phosphonic acid

(2-methyloxan-2-yl)phosphonic acid (PubChem CID 18475089) has the molecular formula C6H13O4P and a molecular weight of 180.14 g/mol. Its IUPAC name is (2-methyloxan-2-yl)phosphonic acid.

Molecular Properties

Compound Name(2-methyloxan-2-yl)phosphonic acid
PubChem CID18475089
Molecular FormulaC6H13O4P
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name(2-methyloxan-2-yl)phosphonic acid
SMILESCC1(P(=O)(O)O)CCCCO1
InChIInChI=1S/C6H13O4P/c1-6(11(7,8)9)4-2-3-5-10-6/h2-5H2,1H3,(H2,7,8,9)
InChIKeyCCTUZHGJZPABFQ-UHFFFAOYSA-N
XLogP1.08
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methyloxan-2-yl)phosphonic acid?
The IUPAC name of (2-methyloxan-2-yl)phosphonic acid (CID 18475089) is (2-methyloxan-2-yl)phosphonic acid.
What is the SMILES notation for (2-methyloxan-2-yl)phosphonic acid?
The canonical SMILES for (2-methyloxan-2-yl)phosphonic acid is CC1(P(=O)(O)O)CCCCO1.
What is the InChIKey of (2-methyloxan-2-yl)phosphonic acid?
The InChIKey is CCTUZHGJZPABFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O4P/c1-6(11(7,8)9)4-2-3-5-10-6/h2-5H2,1H3,(H2,7,8,9).
What are the key properties of (2-methyloxan-2-yl)phosphonic acid?
(2-methyloxan-2-yl)phosphonic acid has a molecular weight of 180.14 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxan-2-yl)phosphonic acid is sourced from PubChem (CID 18475089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).